N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C16H22N6O — CID 95848665

IUPACN,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1(C)CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6O/c1-16(13-12(11-19-20-13)14(23)21(2)3)5-9-22(10-6-16)15-17-7-4-8-18-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyFTOYQBRAKWEEKZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.46
Rot. Bonds3

About N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 95848665) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID95848665
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1(C)CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6O/c1-16(13-12(11-19-20-13)14(23)21(2)3)5-9-22(10-6-16)15-17-7-4-8-18-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,20)
InChIKeyFTOYQBRAKWEEKZ-UHFFFAOYSA-N
XLogP1.46
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 95848665) is N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1(C)CCN(c2ncccn2)CC1.
What is the InChIKey of N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is FTOYQBRAKWEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-16(13-12(11-19-20-13)14(23)21(2)3)5-9-22(10-6-16)15-17-7-4-8-18-15/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).