2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine

C9H17N3 — CID 83851810

IUPAC2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine
SMILESCC(C)Cc1cc(CCN)n[nH]1
InChIInChI=1S/C9H17N3/c1-7(2)5-9-6-8(3-4-10)11-12-9/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyGRNYPTPRRYTYNS-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.11
Rot. Bonds4

About 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine

2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine (PubChem CID 83851810) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine
PubChem CID83851810
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine
SMILESCC(C)Cc1cc(CCN)n[nH]1
InChIInChI=1S/C9H17N3/c1-7(2)5-9-6-8(3-4-10)11-12-9/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyGRNYPTPRRYTYNS-UHFFFAOYSA-N
XLogP1.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine (CID 83851810) is 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine is CC(C)Cc1cc(CCN)n[nH]1.
What is the InChIKey of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine?
The InChIKey is GRNYPTPRRYTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)5-9-6-8(3-4-10)11-12-9/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine?
2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]ethanamine is sourced from PubChem (CID 83851810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).