1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide

C11H11FN4O — CID 114069150

IUPAC1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide
SMILESNCc1cccc(F)c1-n1cc(C(N)=O)cn1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-2-7(4-13)10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,4,13H2,(H2,14,17)
InChIKeyUMORBSGOWISZQD-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.57
Rot. Bonds3

About 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide

1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 114069150) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide
PubChem CID114069150
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide
SMILESNCc1cccc(F)c1-n1cc(C(N)=O)cn1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-2-7(4-13)10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,4,13H2,(H2,14,17)
InChIKeyUMORBSGOWISZQD-UHFFFAOYSA-N
XLogP0.57
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid
CID 64783087
ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
CID 135154885
1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
CID 64780820
1-(6-amino-2,3-difluorophenyl)pyrazole-4-carboxamide
CID 64782710
1-(3-fluoro-2-nitrophenyl)pyrazole-4-carboxamide
CID 64782731
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
3-amino-2-(4-carbamoylpyrazol-1-yl)benzoic acid
CID 112579525
1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 64782726
1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
CID 64782907
N-[[2-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 114069101
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
CID 91043699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide (CID 114069150) is 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide is NCc1cccc(F)c1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The InChIKey is UMORBSGOWISZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-9-3-1-2-7(4-13)10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,4,13H2,(H2,14,17).
What are the key properties of 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide?
1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 114069150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).