4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine

C12H17N5 — CID 105231284

IUPAC4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
SMILESCCc1ccc(C(NN)c2cn[nH]c2N)cc1
InChIInChI=1S/C12H17N5/c1-2-8-3-5-9(6-4-8)11(16-14)10-7-15-17-12(10)13/h3-7,11,16H,2,14H2,1H3,(H3,13,15,17)
InChIKeyTXKXGWPZHDWLDO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.11
Rot. Bonds4

About 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine

4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine (PubChem CID 105231284) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
PubChem CID105231284
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
SMILESCCc1ccc(C(NN)c2cn[nH]c2N)cc1
InChIInChI=1S/C12H17N5/c1-2-8-3-5-9(6-4-8)11(16-14)10-7-15-17-12(10)13/h3-7,11,16H,2,14H2,1H3,(H3,13,15,17)
InChIKeyTXKXGWPZHDWLDO-UHFFFAOYSA-N
XLogP1.11
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.11
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-[(4-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231191
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105197356
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105197382
4-[(2-chloro-5-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105397851
[(4-ethylphenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197290
4-(2-ethyl-1-hydrazinylbutyl)-1H-pyrazol-5-amine
CID 105231014
[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 105267871
[(4-ethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105197296
[(4-ethylphenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105292878
[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292944
[(4-ethylphenyl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105292831
[(2,6-dimethylphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 114027322

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine (CID 105231284) is 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine is CCc1ccc(C(NN)c2cn[nH]c2N)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The InChIKey is TXKXGWPZHDWLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-8-3-5-9(6-4-8)11(16-14)10-7-15-17-12(10)13/h3-7,11,16H,2,14H2,1H3,(H3,13,15,17).
What are the key properties of 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 105231284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).