1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide

C14H16N4O — CID 112558317

IUPAC1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C14H16N4O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyWJXZBNIJFHKMTO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 112558317) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID112558317
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C14H16N4O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9,15H2,(H,16,19)(H,17,18)
InChIKeyWJXZBNIJFHKMTO-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide (CID 112558317) is 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NCc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is WJXZBNIJFHKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9,15H2,(H,16,19)(H,17,18).
What are the key properties of 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112558317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).