3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide

C17H21F2N3O2 — CID 59559823

IUPAC3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)OC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C17H21F2N3O2/c1-10(2)24-11(3)12-7-5-6-8-14(12)20-17(23)13-9-22(4)21-15(13)16(18)19/h5-11,16H,1-4H3,(H,20,23)
InChIKeyWMGFHLOGYGVKBF-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.10
Rot. Bonds6

About 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 59559823) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide
PubChem CID59559823
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)OC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C17H21F2N3O2/c1-10(2)24-11(3)12-7-5-6-8-14(12)20-17(23)13-9-22(4)21-15(13)16(18)19/h5-11,16H,1-4H3,(H,20,23)
InChIKeyWMGFHLOGYGVKBF-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
methyl 2-({[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazol-5-yl]carbonyl}amino)benzoate
CID 3238045
methyl 2-({[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate
CID 2954494
ethyl 4-{[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]amino}benzoate
CID 16026493
methyl 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)benzoate
CID 1129687
methyl 2-({[3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazol-5-yl]carbonyl}amino)benzoate
CID 3240660
1-Ethyl-N-isobutyl-4-({4-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-1H-pyrazole-3-carboxamide
CID 4776712
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]oxy]-1H-quinolin-2-one
CID 90682307
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 164612182
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 164626341
dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate
CID 4586729

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide (CID 59559823) is 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide is CC(C)OC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WMGFHLOGYGVKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-10(2)24-11(3)12-7-5-6-8-14(12)20-17(23)13-9-22(4)21-15(13)16(18)19/h5-11,16H,1-4H3,(H,20,23).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-yloxyethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 59559823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).