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

C12H14N4O2 — CID 64526078

IUPAC3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-3-4-8(10(5-7)18-2)14-12(17)9-6-11(13)16-15-9/h3-6H,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyZIPSRUFRJNJJAO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64526078) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64526078
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-3-4-8(10(5-7)18-2)14-12(17)9-6-11(13)16-15-9/h3-6H,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyZIPSRUFRJNJJAO-UHFFFAOYSA-N
XLogP1.56
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 64525066
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 64526078) is 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is COc1cc(C)ccc1NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZIPSRUFRJNJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-3-4-8(10(5-7)18-2)14-12(17)9-6-11(13)16-15-9/h3-6H,1-2H3,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64526078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).