N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C18H24N6O2 — CID 146113881

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H24N6O2/c25-16-9-13(11-24-7-3-4-21-24)8-14(16)22-18(26)15-10-17(20-12-19-15)23-5-1-2-6-23/h3-4,7,10,12-14,16,25H,1-2,5-6,8-9,11H2,(H,22,26)/t13?,14-,16-/m1/s1
InChIKeyMLQOCIRFKZPVPU-IGLHTZBQSA-N
MW356.43 g/mol
LogP0.84
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 146113881) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID146113881
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H24N6O2/c25-16-9-13(11-24-7-3-4-21-24)8-14(16)22-18(26)15-10-17(20-12-19-15)23-5-1-2-6-23/h3-4,7,10,12-14,16,25H,1-2,5-6,8-9,11H2,(H,22,26)/t13?,14-,16-/m1/s1
InChIKeyMLQOCIRFKZPVPU-IGLHTZBQSA-N
XLogP0.84
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-methoxyisoquinoline-3-carboxamide
CID 166310731
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 146113832
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
CID 146113903
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146113852
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166297085
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 146113799
[2-[[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154798355
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 146113881) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(N2CCCC2)ncn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is MLQOCIRFKZPVPU-IGLHTZBQSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-16-9-13(11-24-7-3-4-21-24)8-14(16)22-18(26)15-10-17(20-12-19-15)23-5-1-2-6-23/h3-4,7,10,12-14,16,25H,1-2,5-6,8-9,11H2,(H,22,26)/t13?,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 146113881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).