1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide

C22H26N4O2 — CID 3702124

IUPAC1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C22H26N4O2/c1-5-17-20(18(21(23)27)14(3)25(17)15-11-12-15)19-13(2)24(4)26(22(19)28)16-9-7-6-8-10-16/h6-10,15H,5,11-12H2,1-4H3,(H2,23,27)
InChIKeyXLRNYNMHZRMMNO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide

1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide (PubChem CID 3702124) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
PubChem CID3702124
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C22H26N4O2/c1-5-17-20(18(21(23)27)14(3)25(17)15-11-12-15)19-13(2)24(4)26(22(19)28)16-9-7-6-8-10-16/h6-10,15H,5,11-12H2,1-4H3,(H2,23,27)
InChIKeyXLRNYNMHZRMMNO-UHFFFAOYSA-N
XLogP3.26
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3755756
1-benzyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3699570
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3847441
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3859314
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
1-cyclooctyl-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3870481
methyl 3-[4-carbamoyl-1-[(3-chlorophenyl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylpyrrol-2-yl]propanoate
CID 3529670
1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3729418
5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3791738
1-cyclooctyl-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3602922
(2S,5R)-5-(aminomethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)oxolane-2-carboxamide
CID 120782529
1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide
CID 174903564

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide (CID 3702124) is 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide is CCc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The InChIKey is XLRNYNMHZRMMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-17-20(18(21(23)27)14(3)25(17)15-11-12-15)19-13(2)24(4)26(22(19)28)16-9-7-6-8-10-16/h6-10,15H,5,11-12H2,1-4H3,(H2,23,27).
What are the key properties of 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).