N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide

C22H22FN3O3 — CID 75468818

IUPACN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-13-20(14-9-10-14)25-26(15-7-5-4-6-8-15)21(13)24-22(27)16-11-18(28-2)19(29-3)12-17(16)23/h4-8,11-12,14H,9-10H2,1-3H3,(H,24,27)
InChIKeyWJTQHUOHTZSEOO-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.47
Rot. Bonds6

About N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide

N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide (PubChem CID 75468818) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
PubChem CID75468818
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-13-20(14-9-10-14)25-26(15-7-5-4-6-8-15)21(13)24-22(27)16-11-18(28-2)19(29-3)12-17(16)23/h4-8,11-12,14H,9-10H2,1-3H3,(H,24,27)
InChIKeyWJTQHUOHTZSEOO-UHFFFAOYSA-N
XLogP4.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 97315585
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-(methoxymethyl)benzamide
CID 75467449
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 56786256
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 75467763
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-3-fluoro-4-methoxybenzamide
CID 86897789
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
CID 71845529
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
methyl 3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 19588745
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide (CID 75468818) is N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide is COc1cc(F)c(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OC.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide?
The InChIKey is WJTQHUOHTZSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13-20(14-9-10-14)25-26(15-7-5-4-6-8-15)21(13)24-22(27)16-11-18(28-2)19(29-3)12-17(16)23/h4-8,11-12,14H,9-10H2,1-3H3,(H,24,27).
What are the key properties of N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide?
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide has a molecular weight of 395.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide is sourced from PubChem (CID 75468818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).