N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide

C16H19N3O2 — CID 110014209

IUPACN-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCCC1O
InChIInChI=1S/C16H19N3O2/c20-15-8-4-7-14(15)16(21)18-13-9-17-19(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14-15,20H,4,7-8,10H2,(H,18,21)
InChIKeyIYXOQNFYGIRLQO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide

N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014209) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014209
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCCC1O
InChIInChI=1S/C16H19N3O2/c20-15-8-4-7-14(15)16(21)18-13-9-17-19(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14-15,20H,4,7-8,10H2,(H,18,21)
InChIKeyIYXOQNFYGIRLQO-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-[(1S,2R)-2-hydroxycyclopentyl]acetamide
CID 138048170
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
3-[(1-benzylpyrazol-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 3439709
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
2-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56725314
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
(2S,5R)-5-(aminomethyl)-N-(1-benzylpyrazol-4-yl)oxolane-2-carboxamide
CID 120788956
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
trans-(1R,2R)-2-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51392378

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide (CID 110014209) is N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)C1CCCC1O.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is IYXOQNFYGIRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-8-4-7-14(15)16(21)18-13-9-17-19(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14-15,20H,4,7-8,10H2,(H,18,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide?
N-(1-benzylpyrazol-4-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-4-yl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).