N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine

C18H27N3 — CID 61169749

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)c2cnn(C)c2C)c1
InChIInChI=1S/C18H27N3/c1-13-7-6-8-17(11-13)10-9-14(2)20-15(3)18-12-19-21(5)16(18)4/h6-8,11-12,14-15,20H,9-10H2,1-5H3
InChIKeyOGKLVSPOPKBQAU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine (PubChem CID 61169749) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
PubChem CID61169749
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NC(C)c2cnn(C)c2C)c1
InChIInChI=1S/C18H27N3/c1-13-7-6-8-17(11-13)10-9-14(2)20-15(3)18-12-19-21(5)16(18)4/h6-8,11-12,14-15,20H,9-10H2,1-5H3
InChIKeyOGKLVSPOPKBQAU-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-iodophenyl)methyl]ethanamine
CID 114282803
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 61459848

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine (CID 61169749) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NC(C)c2cnn(C)c2C)c1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
The InChIKey is OGKLVSPOPKBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13-7-6-8-17(11-13)10-9-14(2)20-15(3)18-12-19-21(5)16(18)4/h6-8,11-12,14-15,20H,9-10H2,1-5H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 61169749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).