1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide

C12H21N5O — CID 63757516

IUPAC1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCC2CCNCC2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-3-5-14-6-4-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyQDSFCQDIYVHURQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.24
Rot. Bonds4

About 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide

1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide (PubChem CID 63757516) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
PubChem CID63757516
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCC2CCNCC2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-3-5-14-6-4-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyQDSFCQDIYVHURQ-UHFFFAOYSA-N
XLogP0.24
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide (CID 63757516) is 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide is Cc1nn(C)c(NCC2CCNCC2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide?
The InChIKey is QDSFCQDIYVHURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-3-5-14-6-4-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide?
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 63757516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).