1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

C18H24N4O — CID 19474862

IUPAC1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H24N4O/c1-14-17(13-21(2)20-14)18(23)19-16-8-6-15(7-9-16)12-22-10-4-3-5-11-22/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)
InChIKeyFTLNUQYQSCLBHZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.97
Rot. Bonds4

About 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 19474862) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID19474862
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H24N4O/c1-14-17(13-21(2)20-14)18(23)19-16-8-6-15(7-9-16)12-22-10-4-3-5-11-22/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23)
InChIKeyFTLNUQYQSCLBHZ-UHFFFAOYSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19565638
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
1-(difluoromethyl)-3,5-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 998612
2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106685912
2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 925691
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 19474862) is 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FTLNUQYQSCLBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-17(13-21(2)20-14)18(23)19-16-8-6-15(7-9-16)12-22-10-4-3-5-11-22/h6-9,13H,3-5,10-12H2,1-2H3,(H,19,23).
What are the key properties of 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).