1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide

C21H24N4O — CID 71943860

IUPAC1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C21H24N4O/c1-13-12-19(15(3)24(13)17-10-11-17)21(26)22-20-14(2)23-25(16(20)4)18-8-6-5-7-9-18/h5-9,12,17H,10-11H2,1-4H3,(H,22,26)
InChIKeyUFQOOEIMLLYNSE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.49
Rot. Bonds4

About 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 71943860) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID71943860
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C21H24N4O/c1-13-12-19(15(3)24(13)17-10-11-17)21(26)22-20-14(2)23-25(16(20)4)18-8-6-5-7-9-18/h5-9,12,17H,10-11H2,1-4H3,(H,22,26)
InChIKeyUFQOOEIMLLYNSE-UHFFFAOYSA-N
XLogP4.49
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629779
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
5-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-nitrobenzamide
CID 16960970
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34729662

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide (CID 71943860) is 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(C)n(C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is UFQOOEIMLLYNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-12-19(15(3)24(13)17-10-11-17)21(26)22-20-14(2)23-25(16(20)4)18-8-6-5-7-9-18/h5-9,12,17H,10-11H2,1-4H3,(H,22,26).
What are the key properties of 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 71943860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).