1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide

C14H18N4O2 — CID 43498480

IUPAC1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C14H18N4O2/c1-2-10(9-19)16-14(20)12-7-8-18(17-12)13-6-4-3-5-11(13)15/h3-8,10,19H,2,9,15H2,1H3,(H,16,20)
InChIKeyXLLBPSFAKMSNSH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds5

About 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide (PubChem CID 43498480) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
PubChem CID43498480
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C14H18N4O2/c1-2-10(9-19)16-14(20)12-7-8-18(17-12)13-6-4-3-5-11(13)15/h3-8,10,19H,2,9,15H2,1H3,(H,16,20)
InChIKeyXLLBPSFAKMSNSH-UHFFFAOYSA-N
XLogP0.96
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
3-methoxypropyl 1-(2-aminophenyl)pyrazole-3-carboxylate
CID 61309225
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide (CID 43498480) is 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide is CCC(CO)NC(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide?
The InChIKey is XLLBPSFAKMSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10(9-19)16-14(20)12-7-8-18(17-12)13-6-4-3-5-11(13)15/h3-8,10,19H,2,9,15H2,1H3,(H,16,20).
What are the key properties of 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 43498480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).