N'-(1H-pyrazol-5-yl)propane-1,3-diamine

C6H12N4 — CID 19871502

IUPACN'-(1H-pyrazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1ccn[nH]1
InChIInChI=1S/C6H12N4/c7-3-1-4-8-6-2-5-9-10-6/h2,5H,1,3-4,7H2,(H2,8,9,10)
InChIKeyHWYZJRPLXNCAIZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.17
Rot. Bonds4

About N'-(1H-pyrazol-5-yl)propane-1,3-diamine

N'-(1H-pyrazol-5-yl)propane-1,3-diamine (PubChem CID 19871502) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-(1H-pyrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-pyrazol-5-yl)propane-1,3-diamine
PubChem CID19871502
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN'-(1H-pyrazol-5-yl)propane-1,3-diamine
SMILESNCCCNc1ccn[nH]1
InChIInChI=1S/C6H12N4/c7-3-1-4-8-6-2-5-9-10-6/h2,5H,1,3-4,7H2,(H2,8,9,10)
InChIKeyHWYZJRPLXNCAIZ-UHFFFAOYSA-N
XLogP0.17
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(1H-pyrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(1H-pyrazol-5-yl)propane-1,3-diamine (CID 19871502) is N'-(1H-pyrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1H-pyrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1H-pyrazol-5-yl)propane-1,3-diamine is NCCCNc1ccn[nH]1.
What is the InChIKey of N'-(1H-pyrazol-5-yl)propane-1,3-diamine?
The InChIKey is HWYZJRPLXNCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-3-1-4-8-6-2-5-9-10-6/h2,5H,1,3-4,7H2,(H2,8,9,10).
What are the key properties of N'-(1H-pyrazol-5-yl)propane-1,3-diamine?
N'-(1H-pyrazol-5-yl)propane-1,3-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 19871502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).