5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine

C9H19N5O — CID 58913962

IUPAC5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
SMILESCOCCCn1ncc(N)c1NCCN
InChIInChI=1S/C9H19N5O/c1-15-6-2-5-14-9(12-4-3-10)8(11)7-13-14/h7,12H,2-6,10-11H2,1H3
InChIKeyNKBXJYWNVJFDHU-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.13
Rot. Bonds7

About 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine

5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine (PubChem CID 58913962) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
PubChem CID58913962
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
SMILESCOCCCn1ncc(N)c1NCCN
InChIInChI=1S/C9H19N5O/c1-15-6-2-5-14-9(12-4-3-10)8(11)7-13-14/h7,12H,2-6,10-11H2,1H3
InChIKeyNKBXJYWNVJFDHU-UHFFFAOYSA-N
XLogP-0.13
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine (CID 58913962) is 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine is COCCCn1ncc(N)c1NCCN.
What is the InChIKey of 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine?
The InChIKey is NKBXJYWNVJFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-15-6-2-5-14-9(12-4-3-10)8(11)7-13-14/h7,12H,2-6,10-11H2,1H3.
What are the key properties of 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine?
5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine has a molecular weight of 213.28 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 58913962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).