1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine

C8H15N5 — CID 90428276

IUPAC1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine
SMILESCn1ccc(N2CC(N)C(N)C2)n1
InChIInChI=1S/C8H15N5/c1-12-3-2-8(11-12)13-4-6(9)7(10)5-13/h2-3,6-7H,4-5,9-10H2,1H3
InChIKeyIGKACWDDCKHBHD-UHFFFAOYSA-N
MW181.24 g/mol
LogP-1.11
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine

1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine (PubChem CID 90428276) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine
PubChem CID90428276
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine
SMILESCn1ccc(N2CC(N)C(N)C2)n1
InChIInChI=1S/C8H15N5/c1-12-3-2-8(11-12)13-4-6(9)7(10)5-13/h2-3,6-7H,4-5,9-10H2,1H3
InChIKeyIGKACWDDCKHBHD-UHFFFAOYSA-N
XLogP-1.11
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine (CID 90428276) is 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine is Cn1ccc(N2CC(N)C(N)C2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine?
The InChIKey is IGKACWDDCKHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-12-3-2-8(11-12)13-4-6(9)7(10)5-13/h2-3,6-7H,4-5,9-10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine?
1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine has a molecular weight of 181.24 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)pyrrolidine-3,4-diamine is sourced from PubChem (CID 90428276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).