methyl(1H-pyrazol-5-yl)azanide

C4H6N3- — CID 135700392

IUPACmethyl(1H-pyrazol-5-yl)azanide
SMILESC[N-]c1ccn[nH]1
InChIInChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H-,5,6,7)/q-1
InChIKeySHSJMGBUTAWMAJ-UHFFFAOYSA-N
MW96.11 g/mol
LogP1.04
Rot. Bonds1

About methyl(1H-pyrazol-5-yl)azanide

methyl(1H-pyrazol-5-yl)azanide (PubChem CID 135700392) has the molecular formula C4H6N3- and a molecular weight of 96.11 g/mol. Its IUPAC name is methyl(1H-pyrazol-5-yl)azanide.

Molecular Properties

Compound Namemethyl(1H-pyrazol-5-yl)azanide
PubChem CID135700392
Molecular FormulaC4H6N3-
Molecular Weight96.11 g/mol
Exact Mass96.06
IUPAC Namemethyl(1H-pyrazol-5-yl)azanide
SMILESC[N-]c1ccn[nH]1
InChIInChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H-,5,6,7)/q-1
InChIKeySHSJMGBUTAWMAJ-UHFFFAOYSA-N
XLogP1.04
TPSA42.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(1-fluoroethyl)-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of methyl(1H-pyrazol-5-yl)azanide?
The IUPAC name of methyl(1H-pyrazol-5-yl)azanide (CID 135700392) is methyl(1H-pyrazol-5-yl)azanide.
What is the SMILES notation for methyl(1H-pyrazol-5-yl)azanide?
The canonical SMILES for methyl(1H-pyrazol-5-yl)azanide is C[N-]c1ccn[nH]1.
What is the InChIKey of methyl(1H-pyrazol-5-yl)azanide?
The InChIKey is SHSJMGBUTAWMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H-,5,6,7)/q-1.
What are the key properties of methyl(1H-pyrazol-5-yl)azanide?
methyl(1H-pyrazol-5-yl)azanide has a molecular weight of 96.11 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1H-pyrazol-5-yl)azanide is sourced from PubChem (CID 135700392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).