N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide

C17H21N3O — CID 95744788

IUPACN-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)19-16-12-18-20(13-16)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,19,21)
InChIKeyRFXXVRLGUOMROF-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide

N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 95744788) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID95744788
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)C1CCCC1
InChIInChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)19-16-12-18-20(13-16)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,19,21)
InChIKeyRFXXVRLGUOMROF-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 110279356
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
2-iodo-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744832
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide (CID 95744788) is N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cnn(CCc2ccccc2)c1)C1CCCC1.
What is the InChIKey of N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is RFXXVRLGUOMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)19-16-12-18-20(13-16)11-10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15H,4-5,8-11H2,(H,19,21).
What are the key properties of N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide?
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 95744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).