1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide

C17H17F2N5O2 — CID 134714289

IUPAC1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C17H17F2N5O2/c1-10-14(11-6-4-5-7-13(11)26-3)15(23(2)21-10)20-16(25)12-8-9-24(22-12)17(18)19/h4-9,17H,1-3H3,(H,20,25)
InChIKeyUALSWLSDAKGVQK-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.25
Rot. Bonds5

About 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide (PubChem CID 134714289) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide
PubChem CID134714289
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)nn(C)c1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C17H17F2N5O2/c1-10-14(11-6-4-5-7-13(11)26-3)15(23(2)21-10)20-16(25)12-8-9-24(22-12)17(18)19/h4-9,17H,1-3H3,(H,20,25)
InChIKeyUALSWLSDAKGVQK-UHFFFAOYSA-N
XLogP3.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 134703651
1-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97433777
ethyl 5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268660
1-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 118792010
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
CID 17088867
1-benzoyl-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]piperidine-2-carboxamide
CID 134697760
1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide
CID 176780665
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]acetamide
CID 134713407
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
CID 72911546
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide (CID 134714289) is 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide is COc1ccccc1-c1c(C)nn(C)c1NC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide?
The InChIKey is UALSWLSDAKGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-10-14(11-6-4-5-7-13(11)26-3)15(23(2)21-10)20-16(25)12-8-9-24(22-12)17(18)19/h4-9,17H,1-3H3,(H,20,25).
What are the key properties of 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 134714289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).