1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide

C15H19FN4O — CID 64781223

IUPAC1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)CNCc1cc(F)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C15H19FN4O/c1-10(2)6-18-7-11-5-13(16)3-4-14(11)20-9-12(8-19-20)15(17)21/h3-5,8-10,18H,6-7H2,1-2H3,(H2,17,21)
InChIKeyFNOCKWQLAWPMST-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.86
Rot. Bonds6

About 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide

1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 64781223) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide
PubChem CID64781223
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)CNCc1cc(F)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C15H19FN4O/c1-10(2)6-18-7-11-5-13(16)3-4-14(11)20-9-12(8-19-20)15(17)21/h3-5,8-10,18H,6-7H2,1-2H3,(H2,17,21)
InChIKeyFNOCKWQLAWPMST-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 81497590
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
N-[[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 54909608
1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64782358
1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
CID 114862569
[4-(4-carbamoylpyrazol-1-yl)-3-fluorophenyl]carbamic acid
CID 91043699
1-[2-(1-aminoethyl)-5-bromophenyl]pyrazole-4-carboxamide
CID 82976424
1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
CID 81166253
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
N-[3-[1-(4-fluoro-2-methylphenyl)pyrazol-4-yl]propyl]-2-methylpropan-1-amine
CID 63859472
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide (CID 64781223) is 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide is CC(C)CNCc1cc(F)ccc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is FNOCKWQLAWPMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10(2)6-18-7-11-5-13(16)3-4-14(11)20-9-12(8-19-20)15(17)21/h3-5,8-10,18H,6-7H2,1-2H3,(H2,17,21).
What are the key properties of 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide?
1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64781223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).