2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide

C15H19F2N5O — CID 19530318

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1ccc(CNC(=O)Cn2nc(C3CC3)cc2C(F)F)n1
InChIInChI=1S/C15H19F2N5O/c1-2-21-6-5-11(19-21)8-18-14(23)9-22-13(15(16)17)7-12(20-22)10-3-4-10/h5-7,10,15H,2-4,8-9H2,1H3,(H,18,23)
InChIKeyNDNGUWOFDSCRMN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.23
Rot. Bonds7

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19530318) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
PubChem CID19530318
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1ccc(CNC(=O)Cn2nc(C3CC3)cc2C(F)F)n1
InChIInChI=1S/C15H19F2N5O/c1-2-21-6-5-11(19-21)8-18-14(23)9-22-13(15(16)17)7-12(20-22)10-3-4-10/h5-7,10,15H,2-4,8-9H2,1H3,(H,18,23)
InChIKeyNDNGUWOFDSCRMN-UHFFFAOYSA-N
XLogP2.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19499634
N-[(1-ethylpyrazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519237
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017150
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19529447
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19516533
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19530332
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19530408
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530287
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
CID 19518258
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19468090

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide (CID 19530318) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide is CCn1ccc(CNC(=O)Cn2nc(C3CC3)cc2C(F)F)n1.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is NDNGUWOFDSCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-2-21-6-5-11(19-21)8-18-14(23)9-22-13(15(16)17)7-12(20-22)10-3-4-10/h5-7,10,15H,2-4,8-9H2,1H3,(H,18,23).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).