1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide

C17H22N4O — CID 138055578

IUPAC1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC1CCNCC1
InChIInChI=1S/C17H22N4O/c1-21-16(11-15(20-21)14-5-3-2-4-6-14)17(22)19-12-13-7-9-18-10-8-13/h2-6,11,13,18H,7-10,12H2,1H3,(H,19,22)
InChIKeyBWPDADNUHCHVCL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds4

About 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide

1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 138055578) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID138055578
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCC1CCNCC1
InChIInChI=1S/C17H22N4O/c1-21-16(11-15(20-21)14-5-3-2-4-6-14)17(22)19-12-13-7-9-18-10-8-13/h2-6,11,13,18H,7-10,12H2,1H3,(H,19,22)
InChIKeyBWPDADNUHCHVCL-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide (CID 138055578) is 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCNCC1.
What is the InChIKey of 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is BWPDADNUHCHVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-16(11-15(20-21)14-5-3-2-4-6-14)17(22)19-12-13-7-9-18-10-8-13/h2-6,11,13,18H,7-10,12H2,1H3,(H,19,22).
What are the key properties of 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 138055578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).