N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide

C19H19F2N5O — CID 99632374

IUPACN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C3CCC3)nn2C)nn1-c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N5O/c1-11-8-16(24-26(11)17-7-6-13(20)9-14(17)21)19(27)22-18-10-15(23-25(18)2)12-4-3-5-12/h6-10,12H,3-5H2,1-2H3,(H,22,27)
InChIKeyCCHSDWDXYVJOQF-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.71
Rot. Bonds4

About N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide

N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 99632374) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID99632374
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C3CCC3)nn2C)nn1-c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N5O/c1-11-8-16(24-26(11)17-7-6-13(20)9-14(17)21)19(27)22-18-10-15(23-25(18)2)12-4-3-5-12/h6-10,12H,3-5H2,1-2H3,(H,22,27)
InChIKeyCCHSDWDXYVJOQF-UHFFFAOYSA-N
XLogP3.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide (CID 99632374) is N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C3CCC3)nn2C)nn1-c1ccc(F)cc1F.
What is the InChIKey of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is CCHSDWDXYVJOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-11-8-16(24-26(11)17-7-6-13(20)9-14(17)21)19(27)22-18-10-15(23-25(18)2)12-4-3-5-12/h6-10,12H,3-5H2,1-2H3,(H,22,27).
What are the key properties of N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide?
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 99632374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).