2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide

C19H26N4O — CID 175649732

IUPAC2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-18(22(2)21-15)19(24)20-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,20,24)
InChIKeyKKMPREHFZIJDBD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.17
Rot. Bonds5

About 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 175649732) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID175649732
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-18(22(2)21-15)19(24)20-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,20,24)
InChIKeyKKMPREHFZIJDBD-UHFFFAOYSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide (CID 175649732) is 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is KKMPREHFZIJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-14-18(22(2)21-15)19(24)20-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17H,8-13H2,1-2H3,(H,20,24).
What are the key properties of 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 175649732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).