(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine

C12H15N3O — CID 82239705

IUPAC(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12(13)10-7-14-15-8-10/h3-8,12H,2,13H2,1H3,(H,14,15)
InChIKeyRIMRCCLFHSSFSJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds4

About (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine

(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 82239705) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
PubChem CID82239705
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12(13)10-7-14-15-8-10/h3-8,12H,2,13H2,1H3,(H,14,15)
InChIKeyRIMRCCLFHSSFSJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine (CID 82239705) is (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine is CCOc1ccc(C(N)c2cn[nH]c2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is RIMRCCLFHSSFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12(13)10-7-14-15-8-10/h3-8,12H,2,13H2,1H3,(H,14,15).
What are the key properties of (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82239705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).