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

C11H19N5O — CID 122540815

IUPAC4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCCC(Cn2cc(N)c(C(N)=O)n2)C1
InChIInChI=1S/C11H19N5O/c1-15-4-2-3-8(5-15)6-16-7-9(12)10(14-16)11(13)17/h7-8H,2-6,12H2,1H3,(H2,13,17)
InChIKeyMCAZMZFPWRRSIA-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.09
Rot. Bonds3

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

4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 122540815) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID122540815
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCCC(Cn2cc(N)c(C(N)=O)n2)C1
InChIInChI=1S/C11H19N5O/c1-15-4-2-3-8(5-15)6-16-7-9(12)10(14-16)11(13)17/h7-8H,2-6,12H2,1H3,(H2,13,17)
InChIKeyMCAZMZFPWRRSIA-UHFFFAOYSA-N
XLogP-0.09
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide (CID 122540815) is 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide is CN1CCCC(Cn2cc(N)c(C(N)=O)n2)C1.
What is the InChIKey of 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MCAZMZFPWRRSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-4-2-3-8(5-15)6-16-7-9(12)10(14-16)11(13)17/h7-8H,2-6,12H2,1H3,(H2,13,17).
What are the key properties of 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122540815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).