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

C11H11FN4O — CID 64524613

IUPAC3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)14-11(17)9-5-10(13)16-15-9/h2-5H,1H3,(H,14,17)(H3,13,15,16)
InChIKeyMLIDUJGHJZPBNR-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.69
Rot. Bonds2

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

3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524613) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64524613
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(N)n[nH]2)c1
InChIInChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)14-11(17)9-5-10(13)16-15-9/h2-5H,1H3,(H,14,17)(H3,13,15,16)
InChIKeyMLIDUJGHJZPBNR-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 64525066
4-amino-N-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076748
N-(2-fluoro-5-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508169
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide (CID 64524613) is 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MLIDUJGHJZPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-2-3-7(12)8(4-6)14-11(17)9-5-10(13)16-15-9/h2-5H,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).