ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole

C24H37N3 — CID 176952887

IUPACethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
SMILESCC.CC.CCc1ccc(CN)cc1.Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N2.C9H13N.2C2H6/c1-10-3-5-11(6-4-10)9-13-8-2-7-12-13;1-2-8-3-5-9(7-10)6-4-8;2*1-2/h2-8H,9H2,1H3;3-6H,2,7,10H2,1H3;2*1-2H3
InChIKeyCDFXBEOUCQRJKT-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.00
Rot. Bonds4

About ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole

ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 176952887) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Nameethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
PubChem CID176952887
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Nameethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
SMILESCC.CC.CCc1ccc(CN)cc1.Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N2.C9H13N.2C2H6/c1-10-3-5-11(6-4-10)9-13-8-2-7-12-13;1-2-8-3-5-9(7-10)6-4-8;2*1-2/h2-8H,9H2,1H3;3-6H,2,7,10H2,1H3;2*1-2H3
InChIKeyCDFXBEOUCQRJKT-UHFFFAOYSA-N
XLogP6.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole
CID 167834740
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
CID 164981167
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
CID 3698707
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
1-ethyl-4-methylbenzene;propane
CID 144580802
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole (CID 176952887) is ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole is CC.CC.CCc1ccc(CN)cc1.Cc1ccc(Cn2cccn2)cc1.
What is the InChIKey of ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is CDFXBEOUCQRJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C9H13N.2C2H6/c1-10-3-5-11(6-4-10)9-13-8-2-7-12-13;1-2-8-3-5-9(7-10)6-4-8;2*1-2/h2-8H,9H2,1H3;3-6H,2,7,10H2,1H3;2*1-2H3.
What are the key properties of ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole?
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 367.58 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 176952887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).