(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C19H25F3N6O — CID 135963333

IUPAC(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2N1
InChIInChI=1S/C19H25F3N6O/c1-11(2)14-8-16(19(20,21)22)28-17(23-14)9-15(25-28)12-4-7-27(10-12)18(29)13-5-6-26(3)24-13/h5-6,9,11-12,14,16,23H,4,7-8,10H2,1-3H3/t12-,14-,16+/m0/s1
InChIKeyPMOLTFZIOKVMKP-DUVNUKRYSA-N
MW410.44 g/mol
LogP3.19
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 135963333) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID135963333
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC Name(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2N1
InChIInChI=1S/C19H25F3N6O/c1-11(2)14-8-16(19(20,21)22)28-17(23-14)9-15(25-28)12-4-7-27(10-12)18(29)13-5-6-26(3)24-13/h5-6,9,11-12,14,16,23H,4,7-8,10H2,1-3H3/t12-,14-,16+/m0/s1
InChIKeyPMOLTFZIOKVMKP-DUVNUKRYSA-N
XLogP3.19
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136735489
(5S,7R)-5-propan-2-yl-2-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136891400
(4-methylthiadiazol-5-yl)-[(3S)-3-[(5S,7S)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 137072598
(4-methylthiadiazol-5-yl)-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136761283
1-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]butan-1-one
CID 136761269
3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 136761204
[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 137090412
[3-[5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 136760247
2-(4-methylpyrazol-1-yl)-1-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 136761290
[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 136892558
7-bicyclo[4.1.0]heptanyl-[3-[5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136760261
[(3R)-3-[(5S,7S)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 136775087

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 135963333) is (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)cc2N1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is PMOLTFZIOKVMKP-DUVNUKRYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-11(2)14-8-16(19(20,21)22)28-17(23-14)9-15(25-28)12-4-7-27(10-12)18(29)13-5-6-26(3)24-13/h5-6,9,11-12,14,16,23H,4,7-8,10H2,1-3H3/t12-,14-,16+/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 410.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135963333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).