N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide

C7H12N4O — CID 118703782

IUPACN-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C7H12N4O/c1-5(12)11(2)4-6-3-7(8)10-9-6/h3H,4H2,1-2H3,(H3,8,9,10)
InChIKeyWWFMCYNCEJMUQK-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.03
Rot. Bonds2

About N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide

N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide (PubChem CID 118703782) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide
PubChem CID118703782
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C7H12N4O/c1-5(12)11(2)4-6-3-7(8)10-9-6/h3H,4H2,1-2H3,(H3,8,9,10)
InChIKeyWWFMCYNCEJMUQK-UHFFFAOYSA-N
XLogP-0.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide (CID 118703782) is N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(N)n[nH]1.
What is the InChIKey of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is WWFMCYNCEJMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(12)11(2)4-6-3-7(8)10-9-6/h3H,4H2,1-2H3,(H3,8,9,10).
What are the key properties of N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide?
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 168.20 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-pyrazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 118703782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).