N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide

C16H17F2N3O — CID 169169704

IUPACN-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide
SMILESCCn1nc(NC(=O)c2ccc(F)c(F)c2)c(C2CC2)c1C
InChIInChI=1S/C16H17F2N3O/c1-3-21-9(2)14(10-4-5-10)15(20-21)19-16(22)11-6-7-12(17)13(18)8-11/h6-8,10H,3-5H2,1-2H3,(H,19,20,22)
InChIKeyXVYUCBHDCBKYCO-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.62
Rot. Bonds4

About N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide

N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide (PubChem CID 169169704) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide
PubChem CID169169704
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide
SMILESCCn1nc(NC(=O)c2ccc(F)c(F)c2)c(C2CC2)c1C
InChIInChI=1S/C16H17F2N3O/c1-3-21-9(2)14(10-4-5-10)15(20-21)19-16(22)11-6-7-12(17)13(18)8-11/h6-8,10H,3-5H2,1-2H3,(H,19,20,22)
InChIKeyXVYUCBHDCBKYCO-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
CID 171559389
ethyl 3-[(4-chlorobenzoyl)amino]-4-cyclopropyl-1H-pyrazole-5-carboxylate
CID 138012627
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 1399806
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
CID 104592785
ethyl 4-[[N-(3,4-difluorobenzoyl)-N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]benzoate
CID 46293098
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46113945
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide
CID 54596273

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide (CID 169169704) is N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide is CCn1nc(NC(=O)c2ccc(F)c(F)c2)c(C2CC2)c1C.
What is the InChIKey of N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide?
The InChIKey is XVYUCBHDCBKYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-3-21-9(2)14(10-4-5-10)15(20-21)19-16(22)11-6-7-12(17)13(18)8-11/h6-8,10H,3-5H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide?
N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide has a molecular weight of 305.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 169169704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).