3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide

C18H19F2N5O4 — CID 157014601

IUPAC3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cc(C(F)F)nn3C)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H19F2N5O4/c1-25-12(7-11(24-25)17(19)20)18(26)21-15-8-10(22-23-15)9-5-13(27-2)16(29-4)14(6-9)28-3/h5-8,17H,1-4H3,(H2,21,22,23,26)
InChIKeyWBWKEIIFWBZMAB-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.03
Rot. Bonds7

About 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide

3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 157014601) has the molecular formula C18H19F2N5O4 and a molecular weight of 407.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID157014601
Molecular FormulaC18H19F2N5O4
Molecular Weight407.38 g/mol
Exact Mass407.14
IUPAC Name3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3cc(C(F)F)nn3C)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H19F2N5O4/c1-25-12(7-11(24-25)17(19)20)18(26)21-15-8-10(22-23-15)9-5-13(27-2)16(29-4)14(6-9)28-3/h5-8,17H,1-4H3,(H2,21,22,23,26)
InChIKeyWBWKEIIFWBZMAB-UHFFFAOYSA-N
XLogP3.03
TPSA103.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrrole-2-carboxamide
CID 157020406
N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 155915009
N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]quinoxaline-5-carboxamide
CID 157019775
[(3S,5S)-5-[3-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071152
3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 169141444
3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 134704073
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole;3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 66820114
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173963
N-[5-(3-methoxy-2,3-dihydrofuran-5-yl)-1H-pyrazol-3-yl]-1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
CID 164880191
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 131902769

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 157014601) is 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide is COc1cc(-c2cc(NC(=O)c3cc(C(F)F)nn3C)n[nH]2)cc(OC)c1OC.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is WBWKEIIFWBZMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O4/c1-25-12(7-11(24-25)17(19)20)18(26)21-15-8-10(22-23-15)9-5-13(27-2)16(29-4)14(6-9)28-3/h5-8,17H,1-4H3,(H2,21,22,23,26).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 157014601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).