(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

C16H19N7O — CID 155507113

IUPAC(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3cc(-n4cccn4)ncn3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C16H19N7O/c1-11-5-13(21-20-11)6-12-8-22(9-14(12)24)15-7-16(18-10-17-15)23-4-2-3-19-23/h2-5,7,10,12,14,24H,6,8-9H2,1H3,(H,20,21)/t12-,14+/m1/s1
InChIKeyKRIUDNQQLGSDJP-OCCSQVGLSA-N
MW325.38 g/mol
LogP0.73
Rot. Bonds4

About (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 155507113) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID155507113
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(c3cc(-n4cccn4)ncn3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C16H19N7O/c1-11-5-13(21-20-11)6-12-8-22(9-14(12)24)15-7-16(18-10-17-15)23-4-2-3-19-23/h2-5,7,10,12,14,24H,6,8-9H2,1H3,(H,20,21)/t12-,14+/m1/s1
InChIKeyKRIUDNQQLGSDJP-OCCSQVGLSA-N
XLogP0.73
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 135104291
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 135102736
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
CID 155493377
(3R,4R)-1-(3-fluoro-4-pyridinyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 135118104
(3S,4R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol;formic acid
CID 154918892
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 134707181
5-propan-2-yl-2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932905
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
2-(2-piperidin-1-ylethyl)-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932911
2-[2-(4-methylpyrazol-1-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933012
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 157017402
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 135105465

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 155507113) is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(c3cc(-n4cccn4)ncn3)C[C@@H]2O)n[nH]1.
What is the InChIKey of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KRIUDNQQLGSDJP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11-5-13(21-20-11)6-12-8-22(9-14(12)24)15-7-16(18-10-17-15)23-4-2-3-19-23/h2-5,7,10,12,14,24H,6,8-9H2,1H3,(H,20,21)/t12-,14+/m1/s1.
What are the key properties of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 325.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 155507113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).