5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide

C20H28N4O — CID 46968234

IUPAC5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2ccccc2CN2CCCCC2)c1C
InChIInChI=1S/C20H28N4O/c1-3-11-24-16(2)18(14-21-24)20(25)22-19-10-6-5-9-17(19)15-23-12-7-4-8-13-23/h5-6,9-10,14H,3-4,7-8,11-13,15H2,1-2H3,(H,22,25)
InChIKeyUKACJAJPUKPPRD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.84
Rot. Bonds6

About 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide (PubChem CID 46968234) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
PubChem CID46968234
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2ccccc2CN2CCCCC2)c1C
InChIInChI=1S/C20H28N4O/c1-3-11-24-16(2)18(14-21-24)20(25)22-19-10-6-5-9-17(19)15-23-12-7-4-8-13-23/h5-6,9-10,14H,3-4,7-8,11-13,15H2,1-2H3,(H,22,25)
InChIKeyUKACJAJPUKPPRD-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 75385005
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 131912405
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106853302
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 45224423
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55762394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide (CID 46968234) is 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)Nc2ccccc2CN2CCCCC2)c1C.
What is the InChIKey of 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is UKACJAJPUKPPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-11-24-16(2)18(14-21-24)20(25)22-19-10-6-5-9-17(19)15-23-12-7-4-8-13-23/h5-6,9-10,14H,3-4,7-8,11-13,15H2,1-2H3,(H,22,25).
What are the key properties of 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 46968234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).