4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C14H16FN3O — CID 112702658

IUPAC4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(F)cc2C)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyADOBCVPPLMSLLF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds4

About 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 112702658) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID112702658
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(F)cc2C)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyADOBCVPPLMSLLF-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 112702658) is 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(F)cc2C)n[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is ADOBCVPPLMSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 112702658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).