2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one

C11H18ClN3O — CID 114669423

IUPAC2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
SMILESCCCC(CN)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C11H18ClN3O/c1-3-5-8(6-13)11(16)10-9(12)7-14-15(10)4-2/h7-8H,3-6,13H2,1-2H3
InChIKeyCILPTZXFYOASDI-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.11
Rot. Bonds6

About 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one

2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one (PubChem CID 114669423) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
PubChem CID114669423
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
SMILESCCCC(CN)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C11H18ClN3O/c1-3-5-8(6-13)11(16)10-9(12)7-14-15(10)4-2/h7-8H,3-6,13H2,1-2H3
InChIKeyCILPTZXFYOASDI-UHFFFAOYSA-N
XLogP2.11
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642546
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
4-chloro-1-ethylpyrazole-5-carboximidamide
CID 83874157
1-(4-chloro-1-ethylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115803878
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one (CID 114669423) is 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one is CCCC(CN)C(=O)c1c(Cl)cnn1CC.
What is the InChIKey of 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one?
The InChIKey is CILPTZXFYOASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-5-8(6-13)11(16)10-9(12)7-14-15(10)4-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one?
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one has a molecular weight of 243.74 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one is sourced from PubChem (CID 114669423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).