3-(aminomethyl)-1-methylpyrazole-5-carboxamide

C6H10N4O — CID 22716003

IUPAC3-(aminomethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(CN)cc1C(N)=O
InChIInChI=1S/C6H10N4O/c1-10-5(6(8)11)2-4(3-7)9-10/h2H,3,7H2,1H3,(H2,8,11)
InChIKeyWMUKXUJGJVOHRA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.02
Rot. Bonds2

About 3-(aminomethyl)-1-methylpyrazole-5-carboxamide

3-(aminomethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 22716003) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-1-methylpyrazole-5-carboxamide
PubChem CID22716003
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-(aminomethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(CN)cc1C(N)=O
InChIInChI=1S/C6H10N4O/c1-10-5(6(8)11)2-4(3-7)9-10/h2H,3,7H2,1H3,(H2,8,11)
InChIKeyWMUKXUJGJVOHRA-UHFFFAOYSA-N
XLogP-1.02
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(aminomethyl)-1-methylpyrazole-5-carboxamide (CID 22716003) is 3-(aminomethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(aminomethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(CN)cc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WMUKXUJGJVOHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-10-5(6(8)11)2-4(3-7)9-10/h2H,3,7H2,1H3,(H2,8,11).
What are the key properties of 3-(aminomethyl)-1-methylpyrazole-5-carboxamide?
3-(aminomethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 22716003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).