3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H14ClN3O2 — CID 47291440

IUPAC3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(O)c(Cl)c2)cn1
InChIInChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)10-2-3-12(18)11(14)6-10/h2-3,6-8,18H,4-5H2,1H3,(H,15,19)
InChIKeyUCHCXVPMPFSGHJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.75
Rot. Bonds4

About 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 47291440) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID47291440
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(O)c(Cl)c2)cn1
InChIInChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)10-2-3-12(18)11(14)6-10/h2-3,6-8,18H,4-5H2,1H3,(H,15,19)
InChIKeyUCHCXVPMPFSGHJ-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitrobenzamide
CID 80685172
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
5-chloro-4-hydroxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 167818894
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80690560
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638
3-chloro-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]benzamide
CID 102664788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 47291440) is 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cn1cc(CCNC(=O)c2ccc(O)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is UCHCXVPMPFSGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17-8-9(7-16-17)4-5-15-13(19)10-2-3-12(18)11(14)6-10/h2-3,6-8,18H,4-5H2,1H3,(H,15,19).
What are the key properties of 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 47291440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).