N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide

C14H16FN3O — CID 35532539

IUPACN-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-3-8-18-13(6-7-16-18)14(19)17-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,17,19)
InChIKeyZRANATGVTDNGOL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.99
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide

N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide (PubChem CID 35532539) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
PubChem CID35532539
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-3-8-18-13(6-7-16-18)14(19)17-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,17,19)
InChIKeyZRANATGVTDNGOL-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19470917
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-propylpyrazole-3-carboxamide
CID 146081811

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide (CID 35532539) is N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide?
The InChIKey is ZRANATGVTDNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-8-18-13(6-7-16-18)14(19)17-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35532539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).