N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide

C17H22N4O — CID 6468083

IUPACN-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-20-16(7-10-18-20)17(22)19-15-8-11-21(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H,19,22)
InChIKeyAQNHFPLJVRFLTF-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.81
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 6468083) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
PubChem CID6468083
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O/c1-20-16(7-10-18-20)17(22)19-15-8-11-21(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H,19,22)
InChIKeyAQNHFPLJVRFLTF-UHFFFAOYSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide (CID 6468083) is N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is AQNHFPLJVRFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-16(7-10-18-20)17(22)19-15-8-11-21(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H,19,22).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6468083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).