N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide

C16H20N4O — CID 66129017

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccc(N)c2)C2CC2)n(C)n1
InChIInChI=1S/C16H20N4O/c1-11-8-15(19(2)18-11)16(21)20(14-6-7-14)10-12-4-3-5-13(17)9-12/h3-5,8-9,14H,6-7,10,17H2,1-2H3
InChIKeyGVUOCUZUCHMYNR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide

N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 66129017) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
PubChem CID66129017
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccc(N)c2)C2CC2)n(C)n1
InChIInChI=1S/C16H20N4O/c1-11-8-15(19(2)18-11)16(21)20(14-6-7-14)10-12-4-3-5-13(17)9-12/h3-5,8-9,14H,6-7,10,17H2,1-2H3
InChIKeyGVUOCUZUCHMYNR-UHFFFAOYSA-N
XLogP2.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66127983
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-(2-bromoethyl)-N-cyclobutyl-2,5-dimethylpyrazole-3-carboxamide
CID 102873292
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
CID 65205920
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 70760646
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide (CID 66129017) is N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cccc(N)c2)C2CC2)n(C)n1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GVUOCUZUCHMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-15(19(2)18-11)16(21)20(14-6-7-14)10-12-4-3-5-13(17)9-12/h3-5,8-9,14H,6-7,10,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide?
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66129017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).