5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide

C15H19FN4O — CID 114536137

IUPAC5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)ccc2F)n1
InChIInChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21)
InChIKeySFVGHHOMUDJFCG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.04
Rot. Bonds5

About 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide

5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide (PubChem CID 114536137) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
PubChem CID114536137
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(N)ccc2F)n1
InChIInChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21)
InChIKeySFVGHHOMUDJFCG-UHFFFAOYSA-N
XLogP2.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-nitrobenzamide
CID 87021338
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide (CID 114536137) is 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide is Cc1cc(C)n(CCCNC(=O)c2cc(N)ccc2F)n1.
What is the InChIKey of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide?
The InChIKey is SFVGHHOMUDJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10-8-11(2)20(19-10)7-3-6-18-15(21)13-9-12(17)4-5-14(13)16/h4-5,8-9H,3,6-7,17H2,1-2H3,(H,18,21).
What are the key properties of 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide?
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide is sourced from PubChem (CID 114536137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).