N'-(2-methylpyrazol-3-yl)propane-1,3-diamine

C7H14N4 — CID 63963092

IUPACN'-(2-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCn1nccc1NCCCN
InChIInChI=1S/C7H14N4/c1-11-7(3-6-10-11)9-5-2-4-8/h3,6,9H,2,4-5,8H2,1H3
InChIKeyUHEWHCFMJOGEOR-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.18
Rot. Bonds4

About N'-(2-methylpyrazol-3-yl)propane-1,3-diamine

N'-(2-methylpyrazol-3-yl)propane-1,3-diamine (PubChem CID 63963092) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-(2-methylpyrazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrazol-3-yl)propane-1,3-diamine
PubChem CID63963092
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-(2-methylpyrazol-3-yl)propane-1,3-diamine
SMILESCn1nccc1NCCCN
InChIInChI=1S/C7H14N4/c1-11-7(3-6-10-11)9-5-2-4-8/h3,6,9H,2,4-5,8H2,1H3
InChIKeyUHEWHCFMJOGEOR-UHFFFAOYSA-N
XLogP0.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpyrazol-3-yl)propane-1,3-diamine (CID 63963092) is N'-(2-methylpyrazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpyrazol-3-yl)propane-1,3-diamine is Cn1nccc1NCCCN.
What is the InChIKey of N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
The InChIKey is UHEWHCFMJOGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-11-7(3-6-10-11)9-5-2-4-8/h3,6,9H,2,4-5,8H2,1H3.
What are the key properties of N'-(2-methylpyrazol-3-yl)propane-1,3-diamine?
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 63963092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).