N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide

C13H16ClN5O2 — CID 146110070

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ncc[nH]1
InChIInChI=1S/C13H16ClN5O2/c14-9-5-17-19(7-9)6-8-3-10(11(20)4-8)18-13(21)12-15-1-2-16-12/h1-2,5,7-8,10-11,20H,3-4,6H2,(H,15,16)(H,18,21)/t8?,10-,11-/m1/s1
InChIKeyQUYAQGWWIXPKBS-GUJYYOPSSA-N
MW309.76 g/mol
LogP0.83
Rot. Bonds4

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide (PubChem CID 146110070) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
PubChem CID146110070
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ncc[nH]1
InChIInChI=1S/C13H16ClN5O2/c14-9-5-17-19(7-9)6-8-3-10(11(20)4-8)18-13(21)12-15-1-2-16-12/h1-2,5,7-8,10-11,20H,3-4,6H2,(H,15,16)(H,18,21)/t8?,10-,11-/m1/s1
InChIKeyQUYAQGWWIXPKBS-GUJYYOPSSA-N
XLogP0.83
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide (CID 146110070) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide is O=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)c1ncc[nH]1.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
The InChIKey is QUYAQGWWIXPKBS-GUJYYOPSSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c14-9-5-17-19(7-9)6-8-3-10(11(20)4-8)18-13(21)12-15-1-2-16-12/h1-2,5,7-8,10-11,20H,3-4,6H2,(H,15,16)(H,18,21)/t8?,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide has a molecular weight of 309.76 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 146110070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).