1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one

C14H24ClN3O — CID 114641067

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3O/c1-7-17(8-2)14(5,6)13(19)12-11(15)9-16-18(12)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyHPTKSWAQIXQZSG-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one (PubChem CID 114641067) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
PubChem CID114641067
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3O/c1-7-17(8-2)14(5,6)13(19)12-11(15)9-16-18(12)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyHPTKSWAQIXQZSG-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641077
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670189
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670309
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
CID 114668919
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
CID 106677630
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-2-one
CID 114663661
3-(aminomethyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-one
CID 114670481
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-one
CID 115804834

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one (CID 114641067) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one?
The InChIKey is HPTKSWAQIXQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-7-17(8-2)14(5,6)13(19)12-11(15)9-16-18(12)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one has a molecular weight of 285.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 114641067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).