2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one

C15H18ClN3O — CID 114668919

IUPAC2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
SMILESCC(C)n1ncc(Cl)c1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-13(12(16)9-18-19)14(20)15(3,17)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3
InChIKeyFADJNMKJRHCMJP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one

2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one (PubChem CID 114668919) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
PubChem CID114668919
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one
SMILESCC(C)n1ncc(Cl)c1C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-13(12(16)9-18-19)14(20)15(3,17)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3
InChIKeyFADJNMKJRHCMJP-UHFFFAOYSA-N
XLogP3.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-phenylbutan-1-one
CID 114669252
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylbutan-1-one
CID 115804834
(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanone
CID 115805047
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one
CID 105130702
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105130663
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one (CID 114668919) is 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one is CC(C)n1ncc(Cl)c1C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one?
The InChIKey is FADJNMKJRHCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)19-13(12(16)9-18-19)14(20)15(3,17)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3.
What are the key properties of 2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one?
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one has a molecular weight of 291.78 g/mol, XLogP of 3.17, 4 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-propan-2-ylpyrazol-5-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 114668919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).