N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C18H23ClN4O — CID 175650040

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN4O/c1-21-13-15(11-20-21)18(24)22(2)17-6-8-23(9-7-17)12-14-4-3-5-16(19)10-14/h3-5,10-11,13,17H,6-9,12H2,1-2H3
InChIKeyBUBPTOOXKBTGDJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.81
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175650040) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175650040
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H23ClN4O/c1-21-13-15(11-20-21)18(24)22(2)17-6-8-23(9-7-17)12-14-4-3-5-16(19)10-14/h3-5,10-11,13,17H,6-9,12H2,1-2H3
InChIKeyBUBPTOOXKBTGDJ-UHFFFAOYSA-N
XLogP2.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650160
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175648252
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
N-[(1R)-1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42368849
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175650040) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BUBPTOOXKBTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-21-13-15(11-20-21)18(24)22(2)17-6-8-23(9-7-17)12-14-4-3-5-16(19)10-14/h3-5,10-11,13,17H,6-9,12H2,1-2H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175650040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).