3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one

C9H14ClN3O — CID 114668210

IUPAC3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCN
InChIInChI=1S/C9H14ClN3O/c1-2-5-13-9(7(10)6-12-13)8(14)3-4-11/h6H,2-5,11H2,1H3
InChIKeyHUMGACHAYJHWIT-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.48
Rot. Bonds5

About 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one

3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one (PubChem CID 114668210) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
PubChem CID114668210
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCN
InChIInChI=1S/C9H14ClN3O/c1-2-5-13-9(7(10)6-12-13)8(14)3-4-11/h6H,2-5,11H2,1H3
InChIKeyHUMGACHAYJHWIT-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261
5-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114671285
1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
CID 105130983
2-(aminomethyl)-1-(4-chloro-1-propylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669398
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
6-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-one
CID 114668172

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one (CID 114668210) is 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one is CCCn1ncc(Cl)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one?
The InChIKey is HUMGACHAYJHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-5-13-9(7(10)6-12-13)8(14)3-4-11/h6H,2-5,11H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one?
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one has a molecular weight of 215.68 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one is sourced from PubChem (CID 114668210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).