1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide

C16H20N4O — CID 114793561

IUPAC1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCC1CCCN1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O/c21-16(18-10-8-14-5-4-9-17-14)13-11-19-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,11-12,14,17H,4-5,8-10H2,(H,18,21)
InChIKeyKQIPSOYSFPCHFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds5

About 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide

1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 114793561) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID114793561
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCC1CCCN1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O/c21-16(18-10-8-14-5-4-9-17-14)13-11-19-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,11-12,14,17H,4-5,8-10H2,(H,18,21)
InChIKeyKQIPSOYSFPCHFY-UHFFFAOYSA-N
XLogP1.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510837
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 39302351
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide (CID 114793561) is 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide is O=C(NCCC1CCCN1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is KQIPSOYSFPCHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(18-10-8-14-5-4-9-17-14)13-11-19-20(12-13)15-6-2-1-3-7-15/h1-3,6-7,11-12,14,17H,4-5,8-10H2,(H,18,21).
What are the key properties of 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide?
1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 114793561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).