2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide

C20H18F2N4O — CID 118560466

IUPAC2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c21-16-5-1-14(9-17(16)22)12-26-8-7-19(25-26)24-20(27)10-13-2-6-18(23-11-13)15-3-4-15/h1-2,5-9,11,15H,3-4,10,12H2,(H,24,25,27)
InChIKeyUZGLRIDSOPLPQJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.66
Rot. Bonds6

About 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 118560466) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID118560466
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(C2CC2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H18F2N4O/c21-16-5-1-14(9-17(16)22)12-26-8-7-19(25-26)24-20(27)10-13-2-6-18(23-11-13)15-3-4-15/h1-2,5-9,11,15H,3-4,10,12H2,(H,24,25,27)
InChIKeyUZGLRIDSOPLPQJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 118560466) is 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cc1ccc(C2CC2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is UZGLRIDSOPLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-16-5-1-14(9-17(16)22)12-26-8-7-19(25-26)24-20(27)10-13-2-6-18(23-11-13)15-3-4-15/h1-2,5-9,11,15H,3-4,10,12H2,(H,24,25,27).
What are the key properties of 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 118560466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).