3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide

C16H18N4O2 — CID 136543844

IUPAC3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCc1cnn(C2CCN(C(=O)c3cccc(C(N)=O)c3)C2)c1
InChIInChI=1S/C16H18N4O2/c1-11-8-18-20(9-11)14-5-6-19(10-14)16(22)13-4-2-3-12(7-13)15(17)21/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,21)
InChIKeyGCUPLUWROUAGOK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.38
Rot. Bonds3

About 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide

3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide (PubChem CID 136543844) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
PubChem CID136543844
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCc1cnn(C2CCN(C(=O)c3cccc(C(N)=O)c3)C2)c1
InChIInChI=1S/C16H18N4O2/c1-11-8-18-20(9-11)14-5-6-19(10-14)16(22)13-4-2-3-12(7-13)15(17)21/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,21)
InChIKeyGCUPLUWROUAGOK-UHFFFAOYSA-N
XLogP1.38
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
1,3-benzothiazol-6-yl-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947149
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide?
The IUPAC name of 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide (CID 136543844) is 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide is Cc1cnn(C2CCN(C(=O)c3cccc(C(N)=O)c3)C2)c1.
What is the InChIKey of 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide?
The InChIKey is GCUPLUWROUAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-8-18-20(9-11)14-5-6-19(10-14)16(22)13-4-2-3-12(7-13)15(17)21/h2-4,7-9,14H,5-6,10H2,1H3,(H2,17,21).
What are the key properties of 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide?
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 136543844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).