(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28F3N7O — CID 136507299

IUPAC(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(CNCC(C)(C)NC(=O)c2cnn3c2NC(c2ccccc2)C[C@H]3C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N7O/c1-15-10-30-17(12-29-15)11-28-14-23(2,3)33-22(35)18-13-31-34-20(24(25,26)27)9-19(32-21(18)34)16-7-5-4-6-8-16/h4-8,10,12-13,19-20,28,32H,9,11,14H2,1-3H3,(H,33,35)/t19?,20-/m0/s1
InChIKeyNBDPTPGYDWZAPX-ANYOKISRSA-N
MW487.53 g/mol
LogP3.94
Rot. Bonds7

About (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136507299) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136507299
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(CNCC(C)(C)NC(=O)c2cnn3c2NC(c2ccccc2)C[C@H]3C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N7O/c1-15-10-30-17(12-29-15)11-28-14-23(2,3)33-22(35)18-13-31-34-20(24(25,26)27)9-19(32-21(18)34)16-7-5-4-6-8-16/h4-8,10,12-13,19-20,28,32H,9,11,14H2,1-3H3,(H,33,35)/t19?,20-/m0/s1
InChIKeyNBDPTPGYDWZAPX-ANYOKISRSA-N
XLogP3.94
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(7S)-N-[(5-methylpyrazin-2-yl)methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136507363
3-methyl-1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 148932791
(5R,7S)-5-(4-bromophenyl)-N-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136718754
(7R)-N-[2-(4-tert-butylphenyl)ethyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136507359
5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 648708
(5R,7R)-5-phenyl-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1126936
(4-ethylpiperazin-1-yl)-[(5S,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 135847330
(5R,7S)-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135878976
(5S,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843490
(5R,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843491
(7S)-N-(2-morpholin-4-ylethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137203662
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136507299) is (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc(CNCC(C)(C)NC(=O)c2cnn3c2NC(c2ccccc2)C[C@H]3C(F)(F)F)cn1.
What is the InChIKey of (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NBDPTPGYDWZAPX-ANYOKISRSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-15-10-30-17(12-29-15)11-28-14-23(2,3)33-22(35)18-13-31-34-20(24(25,26)27)9-19(32-21(18)34)16-7-5-4-6-8-16/h4-8,10,12-13,19-20,28,32H,9,11,14H2,1-3H3,(H,33,35)/t19?,20-/m0/s1.
What are the key properties of (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[2-methyl-1-[(5-methylpyrazin-2-yl)methylamino]propan-2-yl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136507299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).