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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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).