N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C19H24F2N4O — CID 172933857

IUPACN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(Cc3ccc(F)cc3F)CC2)nn1C
InChIInChI=1S/C19H24F2N4O/c1-13-10-18(22-24(13)3)19(26)23(2)16-6-8-25(9-7-16)12-14-4-5-15(20)11-17(14)21/h4-5,10-11,16H,6-9,12H2,1-3H3
InChIKeyZPORMGWTZFXYOD-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.74
Rot. Bonds4

About N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172933857) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172933857
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(Cc3ccc(F)cc3F)CC2)nn1C
InChIInChI=1S/C19H24F2N4O/c1-13-10-18(22-24(13)3)19(26)23(2)16-6-8-25(9-7-16)12-14-4-5-15(20)11-17(14)21/h4-5,10-11,16H,6-9,12H2,1-3H3
InChIKeyZPORMGWTZFXYOD-UHFFFAOYSA-N
XLogP2.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933852
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
N-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172891304
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 166121018
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907543

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172933857) is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(Cc3ccc(F)cc3F)CC2)nn1C.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is ZPORMGWTZFXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-13-10-18(22-24(13)3)19(26)23(2)16-6-8-25(9-7-16)12-14-4-5-15(20)11-17(14)21/h4-5,10-11,16H,6-9,12H2,1-3H3.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).