N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

C18H21F2N3O2 — CID 146124298

IUPACN-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2cccc(F)c2F)cnn1C1CCOCC1
InChIInChI=1S/C18H21F2N3O2/c1-11(14-4-3-5-16(19)17(14)20)22-18(24)15-10-21-23(12(15)2)13-6-8-25-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,24)
InChIKeyQMLQEFYFNXVFJK-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide

N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (PubChem CID 146124298) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
PubChem CID146124298
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2cccc(F)c2F)cnn1C1CCOCC1
InChIInChI=1S/C18H21F2N3O2/c1-11(14-4-3-5-16(19)17(14)20)22-18(24)15-10-21-23(12(15)2)13-6-8-25-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,24)
InChIKeyQMLQEFYFNXVFJK-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
(3S)-3-(4-chlorophenyl)-3-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120531556
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-[(1R)-1-(2,3-difluorophenyl)ethyl]urea
CID 99828922
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-[2-(oxan-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 170311732
1-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 78840043
N-[1-(2,3-difluorophenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126767564
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
N-[(1R)-1-(2,3-difluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 124603478
1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538619
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
4-methyl-1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120529970
4-[(2S,3R)-3-aminooxolan-2-yl]-N-[(1S)-1-(2,3-difluorophenyl)ethyl]piperidine-1-carboxamide
CID 129347729

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide (CID 146124298) is N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)c2cccc(F)c2F)cnn1C1CCOCC1.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
The InChIKey is QMLQEFYFNXVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-11(14-4-3-5-16(19)17(14)20)22-18(24)15-10-21-23(12(15)2)13-6-8-25-9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide?
N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 146124298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).