1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide

C13H23N5O — CID 79719369

IUPAC1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
SMILESCc1nn(C)c(N(C)CC2CCNCC2)c1C(N)=O
InChIInChI=1S/C13H23N5O/c1-9-11(12(14)19)13(18(3)16-9)17(2)8-10-4-6-15-7-5-10/h10,15H,4-8H2,1-3H3,(H2,14,19)
InChIKeyODCHWBWOAYQWGW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.26
Rot. Bonds4

About 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide

1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide (PubChem CID 79719369) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
PubChem CID79719369
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
SMILESCc1nn(C)c(N(C)CC2CCNCC2)c1C(N)=O
InChIInChI=1S/C13H23N5O/c1-9-11(12(14)19)13(18(3)16-9)17(2)8-10-4-6-15-7-5-10/h10,15H,4-8H2,1-3H3,(H2,14,19)
InChIKeyODCHWBWOAYQWGW-UHFFFAOYSA-N
XLogP0.26
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide (CID 79719369) is 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide is Cc1nn(C)c(N(C)CC2CCNCC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide?
The InChIKey is ODCHWBWOAYQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-11(12(14)19)13(18(3)16-9)17(2)8-10-4-6-15-7-5-10/h10,15H,4-8H2,1-3H3,(H2,14,19).
What are the key properties of 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide?
1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 79719369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).