4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide

C11H18N6O — CID 157199315

IUPAC4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide
SMILESCc1[nH]nc(N)c1C.Cc1[nH]nc(NC=O)c1C
InChIInChI=1S/C6H9N3O.C5H9N3/c1-4-5(2)8-9-6(4)7-3-10;1-3-4(2)7-8-5(3)6/h3H,1-2H3,(H2,7,8,9,10);1-2H3,(H3,6,7,8)
InChIKeyAQPQZOVDAWIZRY-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.20
Rot. Bonds2

About 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide

4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide (PubChem CID 157199315) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide
PubChem CID157199315
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide
SMILESCc1[nH]nc(N)c1C.Cc1[nH]nc(NC=O)c1C
InChIInChI=1S/C6H9N3O.C5H9N3/c1-4-5(2)8-9-6(4)7-3-10;1-3-4(2)7-8-5(3)6/h3H,1-2H3,(H2,7,8,9,10);1-2H3,(H3,6,7,8)
InChIKeyAQPQZOVDAWIZRY-UHFFFAOYSA-N
XLogP1.20
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide?
The IUPAC name of 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide (CID 157199315) is 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide?
The canonical SMILES for 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide is Cc1[nH]nc(N)c1C.Cc1[nH]nc(NC=O)c1C.
What is the InChIKey of 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide?
The InChIKey is AQPQZOVDAWIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.C5H9N3/c1-4-5(2)8-9-6(4)7-3-10;1-3-4(2)7-8-5(3)6/h3H,1-2H3,(H2,7,8,9,10);1-2H3,(H3,6,7,8).
What are the key properties of 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide?
4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide has a molecular weight of 250.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazol-3-amine;N-(4,5-dimethyl-1H-pyrazol-3-yl)formamide is sourced from PubChem (CID 157199315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).