3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C23H27N5O — CID 55745317

IUPAC3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C23H27N5O/c1-17-22(18(2)28(26-17)20-9-5-3-6-10-20)23(29)25-16-19-11-12-21(24-15-19)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,25,29)
InChIKeyXCKQNPSGCNHTRW-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.80
Rot. Bonds5

About 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 55745317) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID55745317
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C23H27N5O/c1-17-22(18(2)28(26-17)20-9-5-3-6-10-20)23(29)25-16-19-11-12-21(24-15-19)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,25,29)
InChIKeyXCKQNPSGCNHTRW-UHFFFAOYSA-N
XLogP3.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide
CID 46598657
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 18204721
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78881990
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55749931
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
N-[(4-carbamimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 155484117

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 55745317) is 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is XCKQNPSGCNHTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-22(18(2)28(26-17)20-9-5-3-6-10-20)23(29)25-16-19-11-12-21(24-15-19)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,25,29).
What are the key properties of 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55745317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).