1-benzyl-4-propan-2-ylpyrazol-5-amine

C13H17N3 — CID 126480379

IUPAC1-benzyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cnn(Cc2ccccc2)c1N
InChIInChI=1S/C13H17N3/c1-10(2)12-8-15-16(13(12)14)9-11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3
InChIKeyJOBPUJJLVFCRJR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.64
Rot. Bonds3

About 1-benzyl-4-propan-2-ylpyrazol-5-amine

1-benzyl-4-propan-2-ylpyrazol-5-amine (PubChem CID 126480379) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazol-5-amine
PubChem CID126480379
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-benzyl-4-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cnn(Cc2ccccc2)c1N
InChIInChI=1S/C13H17N3/c1-10(2)12-8-15-16(13(12)14)9-11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3
InChIKeyJOBPUJJLVFCRJR-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
CID 15129849
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one
CID 118938062
4-amino-2-benzyl-5-bromopyridazin-3-one
CID 84819961

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazol-5-amine (CID 126480379) is 1-benzyl-4-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazol-5-amine is CC(C)c1cnn(Cc2ccccc2)c1N.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazol-5-amine?
The InChIKey is JOBPUJJLVFCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)12-8-15-16(13(12)14)9-11-6-4-3-5-7-11/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazol-5-amine?
1-benzyl-4-propan-2-ylpyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 126480379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).