4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine

C16H23N3 — CID 61459848

IUPAC4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCn2cccn2)c1
InChIInChI=1S/C16H23N3/c1-14-5-3-6-16(13-14)8-7-15(2)17-10-12-19-11-4-9-18-19/h3-6,9,11,13,15,17H,7-8,10,12H2,1-2H3
InChIKeyUJUYKAFTVCJXRL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.80
Rot. Bonds7

About 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine

4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine (PubChem CID 61459848) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
PubChem CID61459848
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCCn2cccn2)c1
InChIInChI=1S/C16H23N3/c1-14-5-3-6-16(13-14)8-7-15(2)17-10-12-19-11-4-9-18-19/h3-6,9,11,13,15,17H,7-8,10,12H2,1-2H3
InChIKeyUJUYKAFTVCJXRL-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332236
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-(2-prop-2-enoxyethyl)butan-2-amine
CID 113364661
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine (CID 61459848) is 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine is Cc1cccc(CCC(C)NCCn2cccn2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine?
The InChIKey is UJUYKAFTVCJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14-5-3-6-16(13-14)8-7-15(2)17-10-12-19-11-4-9-18-19/h3-6,9,11,13,15,17H,7-8,10,12H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine?
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine is sourced from PubChem (CID 61459848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).