4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide

C13H16N4O2 — CID 63103395

IUPAC4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]ncc2N)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-3-19-9-4-5-11(8(2)6-9)16-13(18)12-10(14)7-15-17-12/h4-7H,3,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJABGMJAOODLNBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103395) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63103395
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]ncc2N)c(C)c1
InChIInChI=1S/C13H16N4O2/c1-3-19-9-4-5-11(8(2)6-9)16-13(18)12-10(14)7-15-17-12/h4-7H,3,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJABGMJAOODLNBO-UHFFFAOYSA-N
XLogP1.95
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 63105944
4-amino-N-(4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62083175
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
2-chloro-N-(4-ethoxy-2-methylphenyl)furan-3-carboxamide
CID 106685543
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52719722
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 63103395) is 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(NC(=O)c2[nH]ncc2N)c(C)c1.
What is the InChIKey of 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JABGMJAOODLNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-9-4-5-11(8(2)6-9)16-13(18)12-10(14)7-15-17-12/h4-7H,3,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).