1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

C19H24F2N4O — CID 998612

IUPAC1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24F2N4O/c1-13-17(14(2)25(23-13)19(20)21)18(26)22-16-8-6-15(7-9-16)12-24-10-4-3-5-11-24/h6-9,19H,3-5,10-12H2,1-2H3,(H,22,26)
InChIKeyDCZLGDHVIKPDBL-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.13
Rot. Bonds5

About 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 998612) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID998612
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C(F)F)c(C)c1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24F2N4O/c1-13-17(14(2)25(23-13)19(20)21)18(26)22-16-8-6-15(7-9-16)12-24-10-4-3-5-11-24/h6-9,19H,3-5,10-12H2,1-2H3,(H,22,26)
InChIKeyDCZLGDHVIKPDBL-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 4748332
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19528536
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34450856
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19565638
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 998612) is 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is Cc1nn(C(F)F)c(C)c1C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DCZLGDHVIKPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-13-17(14(2)25(23-13)19(20)21)18(26)22-16-8-6-15(7-9-16)12-24-10-4-3-5-11-24/h6-9,19H,3-5,10-12H2,1-2H3,(H,22,26).
What are the key properties of 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 998612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).