N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C18H16FN3O2 — CID 19509699

IUPACN-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3F)[nH]n2)c1
InChIInChI=1S/C18H16FN3O2/c1-11-6-7-14(19)16(8-11)20-18(23)17-10-15(21-22-17)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyGTSVURIWZRVBQP-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.79
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509699) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509699
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3F)[nH]n2)c1
InChIInChI=1S/C18H16FN3O2/c1-11-6-7-14(19)16(8-11)20-18(23)17-10-15(21-22-17)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyGTSVURIWZRVBQP-UHFFFAOYSA-N
XLogP3.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53014348
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411316
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509699) is N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3F)[nH]n2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GTSVURIWZRVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-6-7-14(19)16(8-11)20-18(23)17-10-15(21-22-17)12-4-3-5-13(9-12)24-2/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).