4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

C11H19N5O — CID 65354973

IUPAC4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyLRWLKNSVVOHUDW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.17
Rot. Bonds2

About 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 65354973) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID65354973
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyLRWLKNSVVOHUDW-UHFFFAOYSA-N
XLogP-0.17
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (CID 65354973) is 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is CN1CCC(NC(=O)c2nn(C)cc2N)CC1.
What is the InChIKey of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is LRWLKNSVVOHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)13-11(17)10-9(12)7-16(2)14-10/h7-8H,3-6,12H2,1-2H3,(H,13,17).
What are the key properties of 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).