1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide

C16H22N4O — CID 43570572

IUPAC1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C16H22N4O/c1-4-12(5-2)19(3)16(21)14-10-11-20(18-14)15-9-7-6-8-13(15)17/h6-12H,4-5,17H2,1-3H3
InChIKeyQYPSKGRQGQYXHB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide

1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 43570572) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
PubChem CID43570572
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C16H22N4O/c1-4-12(5-2)19(3)16(21)14-10-11-20(18-14)15-9-7-6-8-13(15)17/h6-12H,4-5,17H2,1-3H3
InChIKeyQYPSKGRQGQYXHB-UHFFFAOYSA-N
XLogP2.72
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
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-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
CID 81037219
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide (CID 43570572) is 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)N(C)C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is QYPSKGRQGQYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-12(5-2)19(3)16(21)14-10-11-20(18-14)15-9-7-6-8-13(15)17/h6-12H,4-5,17H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43570572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).