N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide

C14H15ClN4O2 — CID 110016655

IUPACN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)C1CCCC1O
InChIInChI=1S/C14H15ClN4O2/c15-10-4-2-7-16-13(10)19-8-6-12(18-19)17-14(21)9-3-1-5-11(9)20/h2,4,6-9,11,20H,1,3,5H2,(H,17,18,21)
InChIKeyGMBWFZLHIYWQBG-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016655) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016655
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)C1CCCC1O
InChIInChI=1S/C14H15ClN4O2/c15-10-4-2-7-16-13(10)19-8-6-12(18-19)17-14(21)9-3-1-5-11(9)20/h2,4,6-9,11,20H,1,3,5H2,(H,17,18,21)
InChIKeyGMBWFZLHIYWQBG-UHFFFAOYSA-N
XLogP2.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110016655) is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1ccn(-c2ncccc2Cl)n1)C1CCCC1O.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is GMBWFZLHIYWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-4-2-7-16-13(10)19-8-6-12(18-19)17-14(21)9-3-1-5-11(9)20/h2,4,6-9,11,20H,1,3,5H2,(H,17,18,21).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).