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

C26H34N4O2 — CID 3755756

IUPAC1-(cyclohexylmethyl)-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)n1CC1CCCCC1
InChIInChI=1S/C26H34N4O2/c1-5-21-24(22(25(27)31)18(3)29(21)16-19-12-8-6-9-13-19)23-17(2)28(4)30(26(23)32)20-14-10-7-11-15-20/h7,10-11,14-15,19H,5-6,8-9,12-13,16H2,1-4H3,(H2,27,31)
InChIKeyQAYAANNXZXNNFX-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.50
Rot. Bonds6

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

1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide (PubChem CID 3755756) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
PubChem CID3755756
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-(cyclohexylmethyl)-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)n1CC1CCCCC1
InChIInChI=1S/C26H34N4O2/c1-5-21-24(22(25(27)31)18(3)29(21)16-19-12-8-6-9-13-19)23-17(2)28(4)30(26(23)32)20-14-10-7-11-15-20/h7,10-11,14-15,19H,5-6,8-9,12-13,16H2,1-4H3,(H2,27,31)
InChIKeyQAYAANNXZXNNFX-UHFFFAOYSA-N
XLogP4.50
TPSA74.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3702124
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-(cyclohexylmethyl)-2,5-dimethyl-4-(2-methylphenyl)pyrrole-3-carboxamide
CID 3869048
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
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-cyclooctyl-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3870481
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844248
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide (CID 3755756) is 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-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)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
The InChIKey is QAYAANNXZXNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-5-21-24(22(25(27)31)18(3)29(21)16-19-12-8-6-9-13-19)23-17(2)28(4)30(26(23)32)20-14-10-7-11-15-20/h7,10-11,14-15,19H,5-6,8-9,12-13,16H2,1-4H3,(H2,27,31).
What are the key properties of 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide?
1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3755756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).