N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide

C14H16FN3O2 — CID 172631678

IUPACN-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1c(F)cc(C)cc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H16FN3O2/c1-8-5-11(15)13(20-4)12(6-8)17-14(19)10-7-16-18(3)9(10)2/h5-7H,1-4H3,(H,17,19)
InChIKeyJLDNGRNXUKJVDP-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.44
Rot. Bonds3

About N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 172631678) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID172631678
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOc1c(F)cc(C)cc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C14H16FN3O2/c1-8-5-11(15)13(20-4)12(6-8)17-14(19)10-7-16-18(3)9(10)2/h5-7H,1-4H3,(H,17,19)
InChIKeyJLDNGRNXUKJVDP-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 172631678) is N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide is COc1c(F)cc(C)cc1NC(=O)c1cnn(C)c1C.
What is the InChIKey of N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JLDNGRNXUKJVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-5-11(15)13(20-4)12(6-8)17-14(19)10-7-16-18(3)9(10)2/h5-7H,1-4H3,(H,17,19).
What are the key properties of N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methoxy-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172631678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).