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

C11H11FN4O2 — CID 114840514

IUPAC5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn[nH]c2N)ccc1F
InChIInChI=1S/C11H11FN4O2/c1-18-9-4-6(2-3-8(9)12)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyCWYHLMQPBNSJHP-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.39
Rot. Bonds3

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

5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 114840514) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID114840514
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn[nH]c2N)ccc1F
InChIInChI=1S/C11H11FN4O2/c1-18-9-4-6(2-3-8(9)12)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyCWYHLMQPBNSJHP-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

2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43337237
N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
CID 107036539
5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
CID 43159637
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 114840514) is 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cc(NC(=O)c2cn[nH]c2N)ccc1F.
What is the InChIKey of 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CWYHLMQPBNSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-18-9-4-6(2-3-8(9)12)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16).
What are the key properties of 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-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 5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 114840514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).