5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

C20H18F2N4O2 — CID 118130737

IUPAC5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C2CC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C20H18F2N4O2/c1-26-17(12-10-23-15(11-6-7-11)9-18(12)28-2)8-16(25-26)20(27)24-19-13(21)4-3-5-14(19)22/h3-5,8-11H,6-7H2,1-2H3,(H,24,27)
InChIKeyBVVQCEHNOAKUIB-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.90
Rot. Bonds5

About 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130737) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130737
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C2CC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C20H18F2N4O2/c1-26-17(12-10-23-15(11-6-7-11)9-18(12)28-2)8-16(25-26)20(27)24-19-13(21)4-3-5-14(19)22/h3-5,8-11H,6-7H2,1-2H3,(H,24,27)
InChIKeyBVVQCEHNOAKUIB-UHFFFAOYSA-N
XLogP3.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (CID 118130737) is 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is COc1cc(C2CC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C.
What is the InChIKey of 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BVVQCEHNOAKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-26-17(12-10-23-15(11-6-7-11)9-18(12)28-2)8-16(25-26)20(27)24-19-13(21)4-3-5-14(19)22/h3-5,8-11H,6-7H2,1-2H3,(H,24,27).
What are the key properties of 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-4-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).