1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C14H16N4O — CID 167967330

IUPAC1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)C3(N)CC3)n2)cc1
InChIInChI=1S/C14H16N4O/c1-10-2-4-11(5-3-10)18-9-6-12(17-18)16-13(19)14(15)7-8-14/h2-6,9H,7-8,15H2,1H3,(H,16,17,19)
InChIKeyMRNIYHPGBLDPAO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.61
Rot. Bonds3

About 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 167967330) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID167967330
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)C3(N)CC3)n2)cc1
InChIInChI=1S/C14H16N4O/c1-10-2-4-11(5-3-10)18-9-6-12(17-18)16-13(19)14(15)7-8-14/h2-6,9H,7-8,15H2,1H3,(H,16,17,19)
InChIKeyMRNIYHPGBLDPAO-UHFFFAOYSA-N
XLogP1.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 166359813
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 119702679
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279
1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
CID 166360065
methyl 1-(4-methylphenyl)pyrazole-3-carboxylate
CID 14129279
N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 134596880
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 14615578

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 167967330) is 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide is Cc1ccc(-n2ccc(NC(=O)C3(N)CC3)n2)cc1.
What is the InChIKey of 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is MRNIYHPGBLDPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-2-4-11(5-3-10)18-9-6-12(17-18)16-13(19)14(15)7-8-14/h2-6,9H,7-8,15H2,1H3,(H,16,17,19).
What are the key properties of 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167967330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).