4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine

C12H17N5 — CID 105231057

IUPAC4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine
SMILESNNC(CCc1ccccc1)c1cn[nH]c1N
InChIInChI=1S/C12H17N5/c13-12-10(8-15-17-12)11(16-14)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7,14H2,(H3,13,15,17)
InChIKeyLBYNJNJPKKAGSJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.13
Rot. Bonds5

About 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine

4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine (PubChem CID 105231057) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine
PubChem CID105231057
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine
SMILESNNC(CCc1ccccc1)c1cn[nH]c1N
InChIInChI=1S/C12H17N5/c13-12-10(8-15-17-12)11(16-14)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7,14H2,(H3,13,15,17)
InChIKeyLBYNJNJPKKAGSJ-UHFFFAOYSA-N
XLogP1.13
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-hydrazinyl-3-thiophen-3-ylpropyl)-1H-pyrazol-5-amine
CID 105231214
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
4-(2-ethoxy-1-hydrazinylethyl)-1H-pyrazol-5-amine
CID 105231129
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
[1-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831
[1-(2-iodo-3-methylphenyl)-3-phenylpropyl]hydrazine
CID 114030517
4-benzylsulfanyl-1H-pyrazol-5-amine
CID 78969078
4-[2-(5-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231023
[3-phenyl-1-(2-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205730
[1-(5-chloro-2-pyridinyl)-3-phenylpropyl]hydrazine
CID 105251367
[1-(4-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105193229
4-[2-(1-ethylbenzimidazol-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231084

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine (CID 105231057) is 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine is NNC(CCc1ccccc1)c1cn[nH]c1N.
What is the InChIKey of 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine?
The InChIKey is LBYNJNJPKKAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-12-10(8-15-17-12)11(16-14)7-6-9-4-2-1-3-5-9/h1-5,8,11,16H,6-7,14H2,(H3,13,15,17).
What are the key properties of 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine?
4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinyl-3-phenylpropyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 105231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).