2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine

C15H21N3 — CID 83899641

IUPAC2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-12(2)15(8-16)14-9-17-18(11-14)10-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10,16H2,1-2H3
InChIKeyHUFCSGFAMGAKHJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.63
Rot. Bonds5

About 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine

2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine (PubChem CID 83899641) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
PubChem CID83899641
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-12(2)15(8-16)14-9-17-18(11-14)10-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10,16H2,1-2H3
InChIKeyHUFCSGFAMGAKHJ-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1-chloroethyl)-1-(2-phenylethyl)pyrazole
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1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
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(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine (CID 83899641) is 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine?
The InChIKey is HUFCSGFAMGAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)15(8-16)14-9-17-18(11-14)10-13-6-4-3-5-7-13/h3-7,9,11-12,15H,8,10,16H2,1-2H3.
What are the key properties of 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine?
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 83899641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).