4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C15H18F2N6O2 — CID 19520476

IUPAC4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H18F2N6O2/c1-18-15(25)13-10(6-22(2)21-13)19-12(24)7-23-11(8-3-4-8)5-9(20-23)14(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,18,25)(H,19,24)
InChIKeyGXJRJQHWYMVNOE-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.43
Rot. Bonds6

About 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19520476) has the molecular formula C15H18F2N6O2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19520476
Molecular FormulaC15H18F2N6O2
Molecular Weight352.35 g/mol
Exact Mass352.15
IUPAC Name4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C15H18F2N6O2/c1-18-15(25)13-10(6-22(2)21-13)19-12(24)7-23-11(8-3-4-8)5-9(20-23)14(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,18,25)(H,19,24)
InChIKeyGXJRJQHWYMVNOE-UHFFFAOYSA-N
XLogP1.43
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 19520222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 4867079
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 19520273
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520264
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19402048
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398159
N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19520381
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 171130978

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19520476) is 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GXJRJQHWYMVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O2/c1-18-15(25)13-10(6-22(2)21-13)19-12(24)7-23-11(8-3-4-8)5-9(20-23)14(16)17/h5-6,8,14H,3-4,7H2,1-2H3,(H,18,25)(H,19,24).
What are the key properties of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19520476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).