(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone

C15H18ClN3O — CID 105130696

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-14(13(16)9-17-19)15(20)11-6-5-7-12(8-11)18(3)4/h5-10H,1-4H3
InChIKeyNCNAYAHYNMBMDW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.41
Rot. Bonds4

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone (PubChem CID 105130696) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
PubChem CID105130696
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-14(13(16)9-17-19)15(20)11-6-5-7-12(8-11)18(3)4/h5-10H,1-4H3
InChIKeyNCNAYAHYNMBMDW-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-[4-(dimethylamino)phenyl]methanone
CID 105130624
(4-chloro-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 115805043
(3-chloro-4-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640059
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114668416
(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
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115804854
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115805026
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone (CID 105130696) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone is CC(C)n1ncc(Cl)c1C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone?
The InChIKey is NCNAYAHYNMBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)19-14(13(16)9-17-19)15(20)11-6-5-7-12(8-11)18(3)4/h5-10H,1-4H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone has a molecular weight of 291.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 105130696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).