[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone

C11H16ClN3O — CID 114670668

IUPAC[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)C1(CN)CCC1
InChIInChI=1S/C11H16ClN3O/c1-2-15-9(8(12)6-14-15)10(16)11(7-13)4-3-5-11/h6H,2-5,7,13H2,1H3
InChIKeyXWIMSYPONSUTPB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.87
Rot. Bonds4

About [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone

[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone (PubChem CID 114670668) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
PubChem CID114670668
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)C1(CN)CCC1
InChIInChI=1S/C11H16ClN3O/c1-2-15-9(8(12)6-14-15)10(16)11(7-13)4-3-5-11/h6H,2-5,7,13H2,1H3
InChIKeyXWIMSYPONSUTPB-UHFFFAOYSA-N
XLogP1.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670686
[4-(aminomethyl)oxan-4-yl]-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114670803
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 114642779
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
[1-(aminomethyl)cyclohexyl]-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670687

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone (CID 114670668) is [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Cl)c1C(=O)C1(CN)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The InChIKey is XWIMSYPONSUTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-15-9(8(12)6-14-15)10(16)11(7-13)4-3-5-11/h6H,2-5,7,13H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 114670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).