N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide

C14H16N4O — CID 63086101

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNc1cccc(CN(C(=O)c2cn[nH]c2)C2CC2)c1
InChIInChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9,15H2,(H,16,17)
InChIKeyPBDMWIHKVLNUQX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide

N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 63086101) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID63086101
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNc1cccc(CN(C(=O)c2cn[nH]c2)C2CC2)c1
InChIInChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9,15H2,(H,16,17)
InChIKeyPBDMWIHKVLNUQX-UHFFFAOYSA-N
XLogP1.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
N-[(3-aminophenyl)methyl]-N-(4-methoxycyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120795
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
CID 65205920
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide (CID 63086101) is N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide is Nc1cccc(CN(C(=O)c2cn[nH]c2)C2CC2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is PBDMWIHKVLNUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-3-1-2-10(6-12)9-18(13-4-5-13)14(19)11-7-16-17-8-11/h1-3,6-8,13H,4-5,9,15H2,(H,16,17).
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide?
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63086101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).