1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide

C16H18N4O2 — CID 146962352

IUPAC1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)nn1Cc1ccccc1
InChIInChI=1S/C16H18N4O2/c1-17-16(22)14-9-13(15(21)18-12-7-8-12)19-20(14)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,22)(H,18,21)
InChIKeyAKVFSSUCJZYXQO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.18
Rot. Bonds5

About 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide

1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 146962352) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
PubChem CID146962352
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)nn1Cc1ccccc1
InChIInChI=1S/C16H18N4O2/c1-17-16(22)14-9-13(15(21)18-12-7-8-12)19-20(14)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,22)(H,18,21)
InChIKeyAKVFSSUCJZYXQO-UHFFFAOYSA-N
XLogP1.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142417926
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418136
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
1-[[2-[(Z)-but-1-enyl]-3-methylphenyl]methyl]-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide;ethane
CID 142418203
1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
CID 119453902
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide (CID 146962352) is 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is AKVFSSUCJZYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-17-16(22)14-9-13(15(21)18-12-7-8-12)19-20(14)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide?
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 146962352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).