(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

C17H19N3O — CID 9437858

IUPAC(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(19-10-4-5-11-19)16-12-15(13-8-9-13)18-20(16)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyCGDGOEGARKLIHP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.99
Rot. Bonds3

About (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 9437858) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID9437858
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(19-10-4-5-11-19)16-12-15(13-8-9-13)18-20(16)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyCGDGOEGARKLIHP-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413204
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
CID 31096480
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 9464011
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 9363213
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
CID 130447771

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 9437858) is (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1.
What is the InChIKey of (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is CGDGOEGARKLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-10-4-5-11-19)16-12-15(13-8-9-13)18-20(16)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2.
What are the key properties of (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 9437858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).