[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

C15H21N3 — CID 82293937

IUPAC[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCCc1ccccc1-n1ncc(CN)c1C(C)C
InChIInChI=1S/C15H21N3/c1-4-12-7-5-6-8-14(12)18-15(11(2)3)13(9-16)10-17-18/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyNGGRKVYUNXIYJK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds4

About [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 82293937) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID82293937
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCCc1ccccc1-n1ncc(CN)c1C(C)C
InChIInChI=1S/C15H21N3/c1-4-12-7-5-6-8-14(12)18-15(11(2)3)13(9-16)10-17-18/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyNGGRKVYUNXIYJK-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 95481921
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
N-[[1-(2-bromophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441924
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (CID 82293937) is [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is CCc1ccccc1-n1ncc(CN)c1C(C)C.
What is the InChIKey of [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is NGGRKVYUNXIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-7-5-6-8-14(12)18-15(11(2)3)13(9-16)10-17-18/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).