N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

C13H22N4O — CID 42352823

IUPACN,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H22N4O/c1-10-12(9-16(3)14-10)13(18)17(4)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyZLZYCWIZUBDIGL-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds2

About N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide

N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 42352823) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID42352823
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H22N4O/c1-10-12(9-16(3)14-10)13(18)17(4)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyZLZYCWIZUBDIGL-UHFFFAOYSA-N
XLogP0.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353878
2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353879
1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
1-Isopropyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19620085
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 42352823) is N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is ZLZYCWIZUBDIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(9-16(3)14-10)13(18)17(4)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3.
What are the key properties of N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide?
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42352823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).