[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine

C9H12N4 — CID 82468172

IUPAC[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCn1ccc(-c2cc(CN)[nH]n2)c1
InChIInChI=1S/C9H12N4/c1-13-3-2-7(6-13)9-4-8(5-10)11-12-9/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyLQICTIGLCFFSSH-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.87
Rot. Bonds2

About [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine

[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 82468172) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID82468172
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCn1ccc(-c2cc(CN)[nH]n2)c1
InChIInChI=1S/C9H12N4/c1-13-3-2-7(6-13)9-4-8(5-10)11-12-9/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyLQICTIGLCFFSSH-UHFFFAOYSA-N
XLogP0.87
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine (CID 82468172) is [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine is Cn1ccc(-c2cc(CN)[nH]n2)c1.
What is the InChIKey of [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is LQICTIGLCFFSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-3-2-7(6-13)9-4-8(5-10)11-12-9/h2-4,6H,5,10H2,1H3,(H,11,12).
What are the key properties of [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine?
[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 82468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).