2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

C16H21F2N5O — CID 19456411

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)Cn2nc(C(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C16H21F2N5O/c1-10-12(7-19-22(10)3)8-21(2)15(24)9-23-14(11-4-5-11)6-13(20-23)16(17)18/h6-7,11,16H,4-5,8-9H2,1-3H3
InChIKeyOJOIUEQAVSRRRL-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.40
Rot. Bonds6

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 19456411) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID19456411
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCc1c(CN(C)C(=O)Cn2nc(C(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C16H21F2N5O/c1-10-12(7-19-22(10)3)8-21(2)15(24)9-23-14(11-4-5-11)6-13(20-23)16(17)18/h6-7,11,16H,4-5,8-9H2,1-3H3
InChIKeyOJOIUEQAVSRRRL-UHFFFAOYSA-N
XLogP2.40
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 19456411) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is Cc1c(CN(C)C(=O)Cn2nc(C(F)F)cc2C2CC2)cnn1C.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is OJOIUEQAVSRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-10-12(7-19-22(10)3)8-21(2)15(24)9-23-14(11-4-5-11)6-13(20-23)16(17)18/h6-7,11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 337.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19456411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).