3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

C14H15Cl2N3O2 — CID 111458799

IUPAC3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(21,10-6-18-19(2)7-10)8-17-13(20)9-3-4-11(15)12(16)5-9/h3-7,21H,8H2,1-2H3,(H,17,20)
InChIKeyPOOIWLKXVIWADJ-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.36
Rot. Bonds4

About 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 111458799) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID111458799
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(21,10-6-18-19(2)7-10)8-17-13(20)9-3-4-11(15)12(16)5-9/h3-7,21H,8H2,1-2H3,(H,17,20)
InChIKeyPOOIWLKXVIWADJ-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111519861
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 111458804
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
CID 111458447
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
CID 111478508
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (CID 111458799) is 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is Cn1cc(C(C)(O)CNC(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is POOIWLKXVIWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-14(21,10-6-18-19(2)7-10)8-17-13(20)9-3-4-11(15)12(16)5-9/h3-7,21H,8H2,1-2H3,(H,17,20).
What are the key properties of 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 328.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 111458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).