[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone

C13H15N3O — CID 116548142

IUPAC[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C13H15N3O/c1-2-16-9-12(8-15-16)13(17)11-5-3-10(7-14)4-6-11/h3-6,8-9H,2,7,14H2,1H3
InChIKeyFEWCRGKPCGECQT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.59
Rot. Bonds4

About [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone

[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 116548142) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID116548142
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2ccc(CN)cc2)cn1
InChIInChI=1S/C13H15N3O/c1-2-16-9-12(8-15-16)13(17)11-5-3-10(7-14)4-6-11/h3-6,8-9H,2,7,14H2,1H3
InChIKeyFEWCRGKPCGECQT-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 116564365
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114885499
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 65360867
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone (CID 116548142) is [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2ccc(CN)cc2)cn1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is FEWCRGKPCGECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16-9-12(8-15-16)13(17)11-5-3-10(7-14)4-6-11/h3-6,8-9H,2,7,14H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone?
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 116548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).