2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one

C12H20ClN3O — CID 114668567

IUPAC2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)(N)CCC
InChIInChI=1S/C12H20ClN3O/c1-4-6-12(3,14)11(17)10-9(13)8-15-16(10)7-5-2/h8H,4-7,14H2,1-3H3
InChIKeyJFJGADQTDNSRNX-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.65
Rot. Bonds6

About 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one

2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one (PubChem CID 114668567) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
PubChem CID114668567
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)C(C)(N)CCC
InChIInChI=1S/C12H20ClN3O/c1-4-6-12(3,14)11(17)10-9(13)8-15-16(10)7-5-2/h8H,4-7,14H2,1-3H3
InChIKeyJFJGADQTDNSRNX-UHFFFAOYSA-N
XLogP2.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
CID 114668566
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636
1-(4-chloro-1-propylpyrazol-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 114641062
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641210
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670189

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one (CID 114668567) is 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one is CCCn1ncc(Cl)c1C(=O)C(C)(N)CCC.
What is the InChIKey of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
The InChIKey is JFJGADQTDNSRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-6-12(3,14)11(17)10-9(13)8-15-16(10)7-5-2/h8H,4-7,14H2,1-3H3.
What are the key properties of 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one?
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one has a molecular weight of 257.76 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one is sourced from PubChem (CID 114668567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).