N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C18H23ClN4O — CID 51091043

IUPACN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H23ClN4O/c1-13(14-3-5-16(19)6-4-14)23-9-7-17(8-10-23)21-18(24)15-11-20-22(2)12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,24)
InChIKeyCCXHKPLOXFZRQU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.03
Rot. Bonds4

About N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 51091043) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID51091043
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H23ClN4O/c1-13(14-3-5-16(19)6-4-14)23-9-7-17(8-10-23)21-18(24)15-11-20-22(2)12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,24)
InChIKeyCCXHKPLOXFZRQU-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
3-chloro-4-fluoro-N-[1-[1-(4-hydroxyphenyl)ethyl]piperidin-4-yl]benzamide
CID 71124975
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 154748608
1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 52523620
N-[1-(2-benzhydrylsulfanylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043552
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47056200
N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide
CID 99836717

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 51091043) is N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is CC(c1ccc(Cl)cc1)N1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CCXHKPLOXFZRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13(14-3-5-16(19)6-4-14)23-9-7-17(8-10-23)21-18(24)15-11-20-22(2)12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51091043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).