2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine

C9H12N4 — CID 3015187

IUPAC2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(N)cc2)CC1
InChIInChI=1S/C9H12N4/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyWFTSBMRVTWFBIF-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.75
Rot. Bonds1

About 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine

2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 3015187) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID3015187
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc(N)cc2)CC1
InChIInChI=1S/C9H12N4/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyWFTSBMRVTWFBIF-UHFFFAOYSA-N
XLogP0.75
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine (CID 3015187) is 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is WFTSBMRVTWFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-7-1-3-8(4-2-7)13-6-5-9(11)12-13/h1-4H,5-6,10H2,(H2,11,12).
What are the key properties of 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine?
2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 176.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 3015187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).