2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide

C18H25N5O2 — CID 166286230

IUPAC2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H25N5O2/c24-17-10-13(11-22-8-7-19-12-22)9-15(17)21-18(25)16-5-6-20-23(16)14-3-1-2-4-14/h5-8,12-15,17,24H,1-4,9-11H2,(H,21,25)/t13?,15-,17-/m1/s1
InChIKeyCYMGTCNCWOEEOK-RJPUVWTNSA-N
MW343.43 g/mol
LogP1.76
Rot. Bonds5

About 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide

2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide (PubChem CID 166286230) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
PubChem CID166286230
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnn1C1CCCC1
InChIInChI=1S/C18H25N5O2/c24-17-10-13(11-22-8-7-19-12-22)9-15(17)21-18(25)16-5-6-20-23(16)14-3-1-2-4-14/h5-8,12-15,17,24H,1-4,9-11H2,(H,21,25)/t13?,15-,17-/m1/s1
InChIKeyCYMGTCNCWOEEOK-RJPUVWTNSA-N
XLogP1.76
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide (CID 166286230) is 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide?
The InChIKey is CYMGTCNCWOEEOK-RJPUVWTNSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17-10-13(11-22-8-7-19-12-22)9-15(17)21-18(25)16-5-6-20-23(16)14-3-1-2-4-14/h5-8,12-15,17,24H,1-4,9-11H2,(H,21,25)/t13?,15-,17-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide?
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166286230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).