N,5-dimethyl-1H-pyrazol-4-amine

C5H9N3 — CID 20607223

IUPACN,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1C
InChIInChI=1S/C5H9N3/c1-4-5(6-2)3-7-8-4/h3,6H,1-2H3,(H,7,8)
InChIKeyUTTFXAXLAADHET-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.76
Rot. Bonds1

About N,5-dimethyl-1H-pyrazol-4-amine

N,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 20607223) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-1H-pyrazol-4-amine
PubChem CID20607223
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1cn[nH]c1C
InChIInChI=1S/C5H9N3/c1-4-5(6-2)3-7-8-4/h3,6H,1-2H3,(H,7,8)
InChIKeyUTTFXAXLAADHET-UHFFFAOYSA-N
XLogP0.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N,5-dimethyl-1H-pyrazol-4-amine (CID 20607223) is N,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N,5-dimethyl-1H-pyrazol-4-amine is CNc1cn[nH]c1C.
What is the InChIKey of N,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is UTTFXAXLAADHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-5(6-2)3-7-8-4/h3,6H,1-2H3,(H,7,8).
What are the key properties of N,5-dimethyl-1H-pyrazol-4-amine?
N,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 111.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 20607223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).