3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine

C13H17N5 — CID 137207496

IUPAC3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C13H17N5/c1-9(2)18-13(14)12(10(3)17-18)16-15-11-7-5-4-6-8-11/h4-9H,14H2,1-3H3/b16-15+
InChIKeyJALMRLAOGAQRRT-FOCLMDBBSA-N
MW243.31 g/mol
LogP3.77
Rot. Bonds3

About 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine

3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine (PubChem CID 137207496) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine
PubChem CID137207496
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine
SMILESCc1nn(C(C)C)c(N)c1/N=N/c1ccccc1
InChIInChI=1S/C13H17N5/c1-9(2)18-13(14)12(10(3)17-18)16-15-11-7-5-4-6-8-11/h4-9H,14H2,1-3H3/b16-15+
InChIKeyJALMRLAOGAQRRT-FOCLMDBBSA-N
XLogP3.77
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-methyl-4-phenyldiazenylpyrazol-5-amine
CID 155398803
5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 139060875
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene
CID 155817105
4-chloro-3-methyl-1-propan-2-ylpyrazol-5-amine
CID 19619874
(3,5-diamino-4-phenyldiazenylpyrazol-1-yl)-phenylmethanone
CID 135418217
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]benzoate
CID 7403952
diphenyldiazene;hydrofluoride
CID 174857584
tris(4-[(4-tert-butylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);cobalt(3+);methanol
CID 139154272
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 1494897
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
2-(2-methylpropyl)-4,7-bis[4-(N-phenylanilino)phenyl]-6-phenyldiazenylbenzotriazol-5-amine
CID 118530720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine (CID 137207496) is 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine is Cc1nn(C(C)C)c(N)c1/N=N/c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine?
The InChIKey is JALMRLAOGAQRRT-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)18-13(14)12(10(3)17-18)16-15-11-7-5-4-6-8-11/h4-9H,14H2,1-3H3/b16-15+.
What are the key properties of 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine?
3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyldiazenyl-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 137207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).