N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

C13H23ClN4O — CID 120671060

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2NCCCC2(C)C)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-7-10(17-16-9)12(18)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyYUFDFZOVFCBKCA-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.65
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120671060) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120671060
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2NCCCC2(C)C)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-7-10(17-16-9)12(18)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyYUFDFZOVFCBKCA-UHFFFAOYSA-N
XLogP1.65
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 120671060) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2NCCCC2(C)C)n[nH]1.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is YUFDFZOVFCBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-7-10(17-16-9)12(18)15-8-11-13(2,3)5-4-6-14-11;/h7,11,14H,4-6,8H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120671060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).