3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H11FN4O2 — CID 64525066

IUPAC3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H11FN4O2/c1-18-9-4-6(12)2-3-7(9)14-11(17)8-5-10(13)16-15-8/h2-5H,1H3,(H,14,17)(H3,13,15,16)
InChIKeyMWWZTYKXWPIYJC-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.39
Rot. Bonds3

About 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525066) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64525066
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H11FN4O2/c1-18-9-4-6(12)2-3-7(9)14-11(17)8-5-10(13)16-15-8/h2-5H,1H3,(H,14,17)(H3,13,15,16)
InChIKeyMWWZTYKXWPIYJC-UHFFFAOYSA-N
XLogP1.39
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
4-amino-N-(4-fluoro-2-methoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077093
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 64525066) is 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cc(F)ccc1NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MWWZTYKXWPIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-18-9-4-6(12)2-3-7(9)14-11(17)8-5-10(13)16-15-8/h2-5H,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).