(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C15H15Cl2N3O2 — CID 126773042

IUPAC(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)cn1
InChIInChI=1S/C15H15Cl2N3O2/c1-19-7-10(6-18-19)9-2-3-20(8-9)15(22)14-12(17)4-11(16)5-13(14)21/h4-7,9,21H,2-3,8H2,1H3
InChIKeyHNSMSBJUWCRAAQ-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.06
Rot. Bonds2

About (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 126773042) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID126773042
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)cn1
InChIInChI=1S/C15H15Cl2N3O2/c1-19-7-10(6-18-19)9-2-3-20(8-9)15(22)14-12(17)4-11(16)5-13(14)21/h4-7,9,21H,2-3,8H2,1H3
InChIKeyHNSMSBJUWCRAAQ-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-Dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155512528
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
(3-Chloro-5-fluoro-2-hydroxyphenyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71914708
(3-chloro-5-fluoro-2-hydroxyphenyl)-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97075555
(3-chloro-5-fluoro-2-hydroxyphenyl)-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97075556
2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 32355636
5-chloro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 32356132
4-chloro-N-(1-ethylpyrazol-4-yl)-2-hydroxybenzamide
CID 43430114
4-chloro-2-hydroxy-N-(1-methylpyrazol-4-yl)benzamide
CID 43430118
5-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291455
5-chloro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375352
4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47451958

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 126773042) is (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)cn1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HNSMSBJUWCRAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-19-7-10(6-18-19)9-2-3-20(8-9)15(22)14-12(17)4-11(16)5-13(14)21/h4-7,9,21H,2-3,8H2,1H3.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126773042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).