4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide

C18H23FN4O — CID 120576981

IUPAC4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3C)cc2F)n1
InChIInChI=1S/C18H23FN4O/c1-11-9-12(2)23(22-11)17-7-6-14(10-15(17)19)18(24)21-16-5-4-8-20-13(16)3/h6-7,9-10,13,16,20H,4-5,8H2,1-3H3,(H,21,24)
InChIKeyILLBFAQSQMTQIF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.50
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120576981) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120576981
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3C)cc2F)n1
InChIInChI=1S/C18H23FN4O/c1-11-9-12(2)23(22-11)17-7-6-14(10-15(17)19)18(24)21-16-5-4-8-20-13(16)3/h6-7,9-10,13,16,20H,4-5,8H2,1-3H3,(H,21,24)
InChIKeyILLBFAQSQMTQIF-UHFFFAOYSA-N
XLogP2.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575807
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
5,7-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 120575694
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide (CID 120576981) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCNC3C)cc2F)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is ILLBFAQSQMTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-11-9-12(2)23(22-11)17-7-6-14(10-15(17)19)18(24)21-16-5-4-8-20-13(16)3/h6-7,9-10,13,16,20H,4-5,8H2,1-3H3,(H,21,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).