N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide

C15H17N3O — CID 19400039

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cn2cc(NC(=O)C3CC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)9-18-10-14(8-16-18)17-15(19)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,19)
InChIKeyZEIIBNTVIBKOAM-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.59
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 19400039) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID19400039
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(Cn2cc(NC(=O)C3CC3)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)9-18-10-14(8-16-18)17-15(19)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,19)
InChIKeyZEIIBNTVIBKOAM-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
1-[(4-cyanophenyl)methyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865530
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19401688
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide (CID 19400039) is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide is Cc1ccc(Cn2cc(NC(=O)C3CC3)cn2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is ZEIIBNTVIBKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)9-18-10-14(8-16-18)17-15(19)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 19400039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).