N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide

C18H22F2N4O — CID 136562803

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cnn(C(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C18H22F2N4O/c1-18(2)8-9-23(12-15(18)13-6-4-3-5-7-13)17(25)22-14-10-21-24(11-14)16(19)20/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyBAMRAQYWBYUYGS-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.33
Rot. Bonds3

About N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide

N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide (PubChem CID 136562803) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
PubChem CID136562803
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(C)CCN(C(=O)Nc2cnn(C(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C18H22F2N4O/c1-18(2)8-9-23(12-15(18)13-6-4-3-5-7-13)17(25)22-14-10-21-24(11-14)16(19)20/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyBAMRAQYWBYUYGS-UHFFFAOYSA-N
XLogP4.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
CID 136562887
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 136566908
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
9-methyl-N-(1-phenylpyrazol-4-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867133
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 62901981
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123727
4-(2,2-difluoroethyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,4-diazepane-1-carboxamide
CID 84592535

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide (CID 136562803) is N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide is CC1(C)CCN(C(=O)Nc2cnn(C(F)F)c2)CC1c1ccccc1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is BAMRAQYWBYUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-18(2)8-9-23(12-15(18)13-6-4-3-5-7-13)17(25)22-14-10-21-24(11-14)16(19)20/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide?
N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 136562803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).