N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C18H27N3 — CID 60933440

IUPACN-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCc1ccc(C(C)Nc2c(C)nn(C(C)C)c2C)cc1
InChIInChI=1S/C18H27N3/c1-7-16-8-10-17(11-9-16)13(4)19-18-14(5)20-21(12(2)3)15(18)6/h8-13,19H,7H2,1-6H3
InChIKeyUCHCPTCMFOYAIA-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.82
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 60933440) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID60933440
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCc1ccc(C(C)Nc2c(C)nn(C(C)C)c2C)cc1
InChIInChI=1S/C18H27N3/c1-7-16-8-10-17(11-9-16)13(4)19-18-14(5)20-21(12(2)3)15(18)6/h8-13,19H,7H2,1-6H3
InChIKeyUCHCPTCMFOYAIA-UHFFFAOYSA-N
XLogP4.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60931206
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 43310036
3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 60932577
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866495
N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60932836
4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629
N-[1-(4-ethylphenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730850
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-ethylphenyl)ethyl]-4-methylpyridin-3-amine
CID 63329919

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 60933440) is N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is CCc1ccc(C(C)Nc2c(C)nn(C(C)C)c2C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is UCHCPTCMFOYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-16-8-10-17(11-9-16)13(4)19-18-14(5)20-21(12(2)3)15(18)6/h8-13,19H,7H2,1-6H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60933440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).