4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one

C10H16ClN3O — CID 114670411

IUPAC4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCn1ncc(Cl)c1C(=O)C(C)CCN
InChIInChI=1S/C10H16ClN3O/c1-3-14-9(8(11)6-13-14)10(15)7(2)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyBMERFVJEGZQJBC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.72
Rot. Bonds5

About 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one

4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one (PubChem CID 114670411) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
PubChem CID114670411
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCn1ncc(Cl)c1C(=O)C(C)CCN
InChIInChI=1S/C10H16ClN3O/c1-3-14-9(8(11)6-13-14)10(15)7(2)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyBMERFVJEGZQJBC-UHFFFAOYSA-N
XLogP1.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
2-(aminomethyl)-1-(4-chloro-1-ethylpyrazol-5-yl)pentan-1-one
CID 114669423
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
1-(4-chloro-1-ethylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115803878
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
4-chloro-1-ethylpyrazole-5-carboximidamide
CID 83874157
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one (CID 114670411) is 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one is CCn1ncc(Cl)c1C(=O)C(C)CCN.
What is the InChIKey of 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The InChIKey is BMERFVJEGZQJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-14-9(8(11)6-13-14)10(15)7(2)4-5-12/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one has a molecular weight of 229.71 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114670411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).