N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide

C16H19N3O2 — CID 110014338

IUPACN-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)C1CCCC1O
InChIInChI=1S/C16H19N3O2/c20-14-8-4-7-13(14)16(21)17-15-9-10-19(18-15)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,20H,4,7-8,11H2,(H,17,18,21)
InChIKeyJJBQUMOJOBQMOT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds4

About N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide

N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014338) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014338
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)C1CCCC1O
InChIInChI=1S/C16H19N3O2/c20-14-8-4-7-13(14)16(21)17-15-9-10-19(18-15)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,20H,4,7-8,11H2,(H,17,18,21)
InChIKeyJJBQUMOJOBQMOT-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1-benzylpyrazol-3-yl)urea
CID 100836677
3-(1-benzylpyrazol-3-yl)-1-(1-cyclopropylethyl)-1-methylurea
CID 75493458
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
N-(1-benzylpyrazol-3-yl)-4-chloro-5-nitropyrazolidine-3-carboxamide
CID 78207769
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide (CID 110014338) is N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1ccn(Cc2ccccc2)n1)C1CCCC1O.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is JJBQUMOJOBQMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-8-4-7-13(14)16(21)17-15-9-10-19(18-15)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,20H,4,7-8,11H2,(H,17,18,21).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide?
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).