4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine

C17H25N3 — CID 103871923

IUPAC4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCn2cc(C)cn2)c1
InChIInChI=1S/C17H25N3/c1-14-5-4-6-17(11-14)8-7-16(3)18-9-10-20-13-15(2)12-19-20/h4-6,11-13,16,18H,7-10H2,1-3H3
InChIKeyUOXYTDRPMFIQCF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.11
Rot. Bonds7

About 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine

4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine (PubChem CID 103871923) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
PubChem CID103871923
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
SMILESCc1cccc(CCC(C)NCCn2cc(C)cn2)c1
InChIInChI=1S/C17H25N3/c1-14-5-4-6-17(11-14)8-7-16(3)18-9-10-20-13-15(2)12-19-20/h4-6,11-13,16,18H,7-10H2,1-3H3
InChIKeyUOXYTDRPMFIQCF-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
N-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
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
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine (CID 103871923) is 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine is Cc1cccc(CCC(C)NCCn2cc(C)cn2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine?
The InChIKey is UOXYTDRPMFIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-5-4-6-17(11-14)8-7-16(3)18-9-10-20-13-15(2)12-19-20/h4-6,11-13,16,18H,7-10H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine?
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.11, 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-(4-methylpyrazol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 103871923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).