1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine

C19H23N3O — CID 143794069

IUPAC1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
SMILESCCc1ccc(OC)cc1.NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H11N3.C9H12O/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8;1-3-8-4-6-9(10-2)7-5-8/h1-5,7H,6,11H2,(H,12,13);4-7H,3H2,1-2H3
InChIKeyPSPXFPOEFQCBDV-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.79
Rot. Bonds4

About 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine

1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine (PubChem CID 143794069) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
PubChem CID143794069
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
SMILESCCc1ccc(OC)cc1.NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H11N3.C9H12O/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8;1-3-8-4-6-9(10-2)7-5-8/h1-5,7H,6,11H2,(H,12,13);4-7H,3H2,1-2H3
InChIKeyPSPXFPOEFQCBDV-UHFFFAOYSA-N
XLogP3.79
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine
CID 170888752
ethyl 3-[[(4-ethylphenyl)methyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]carbamoyl]amino]-3-phenylpropanoate
CID 46271119
4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26352505
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 6624841
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
methyl 3-[[(4-ethylphenyl)methyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]carbamoyl]amino]propanoate
CID 46271118
N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209943
(3S,4R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770498
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine (CID 143794069) is 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine is CCc1ccc(OC)cc1.NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is PSPXFPOEFQCBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C9H12O/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8;1-3-8-4-6-9(10-2)7-5-8/h1-5,7H,6,11H2,(H,12,13);4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine?
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 309.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 143794069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).