2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine

C6H13N3 — CID 91700829

IUPAC2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine
SMILESCC1=CCN(CCN)N1
InChIInChI=1S/C6H13N3/c1-6-2-4-9(8-6)5-3-7/h2,8H,3-5,7H2,1H3
InChIKeyCXWNMWVLBPQGAN-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.33
Rot. Bonds2

About 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine

2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine (PubChem CID 91700829) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine
PubChem CID91700829
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine
SMILESCC1=CCN(CCN)N1
InChIInChI=1S/C6H13N3/c1-6-2-4-9(8-6)5-3-7/h2,8H,3-5,7H2,1H3
InChIKeyCXWNMWVLBPQGAN-UHFFFAOYSA-N
XLogP-0.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine?
The IUPAC name of 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine (CID 91700829) is 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine is CC1=CCN(CCN)N1.
What is the InChIKey of 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine?
The InChIKey is CXWNMWVLBPQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6-2-4-9(8-6)5-3-7/h2,8H,3-5,7H2,1H3.
What are the key properties of 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine?
2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dihydropyrazol-2-yl)ethanamine is sourced from PubChem (CID 91700829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).