4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide

C28H27N5O2 — CID 39934487

IUPAC4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C28H27N5O2/c1-32(27(34)21-12-14-23(15-13-21)29-28(35)30-24-16-17-24)18-22-19-33(25-10-6-3-7-11-25)31-26(22)20-8-4-2-5-9-20/h2-15,19,24H,16-18H2,1H3,(H2,29,30,35)
InChIKeyYXHZWJBEARJGOC-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.10
Rot. Bonds7

About 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide

4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 39934487) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide
PubChem CID39934487
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C28H27N5O2/c1-32(27(34)21-12-14-23(15-13-21)29-28(35)30-24-16-17-24)18-22-19-33(25-10-6-3-7-11-25)31-26(22)20-8-4-2-5-9-20/h2-15,19,24H,16-18H2,1H3,(H2,29,30,35)
InChIKeyYXHZWJBEARJGOC-UHFFFAOYSA-N
XLogP5.10
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 39736620
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31333798
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55531708
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
CID 17439972
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide (CID 39934487) is 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is YXHZWJBEARJGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-32(27(34)21-12-14-23(15-13-21)29-28(35)30-24-16-17-24)18-22-19-33(25-10-6-3-7-11-25)31-26(22)20-8-4-2-5-9-20/h2-15,19,24H,16-18H2,1H3,(H2,29,30,35).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide?
4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 465.56 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 39934487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).