N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H20F2N6O — CID 120939410

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H20F2N6O/c1-21(11-12-19-8-10-22(12)14(16)17)13(24)15(3-6-18-7-4-15)23-9-2-5-20-23/h2,5,8-10,14,18H,3-4,6-7,11H2,1H3
InChIKeyIHSOWABEYFNFRX-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.21
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120939410) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120939410
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H20F2N6O/c1-21(11-12-19-8-10-22(12)14(16)17)13(24)15(3-6-18-7-4-15)23-9-2-5-20-23/h2,5,8-10,14,18H,3-4,6-7,11H2,1H3
InChIKeyIHSOWABEYFNFRX-UHFFFAOYSA-N
XLogP1.21
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120939410) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(Cc1nccn1C(F)F)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is IHSOWABEYFNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O/c1-21(11-12-19-8-10-22(12)14(16)17)13(24)15(3-6-18-7-4-15)23-9-2-5-20-23/h2,5,8-10,14,18H,3-4,6-7,11H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120939410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).