2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide

C20H26ClN3O3 — CID 69059309

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2cc(CCO)[nH]n2)ccc1Cl
InChIInChI=1S/C20H26ClN3O3/c21-17-6-5-14(18-12-15(7-10-25)23-24-18)11-16(17)19(26)22-13-20(27)8-3-1-2-4-9-20/h5-6,11-12,25,27H,1-4,7-10,13H2,(H,22,26)(H,23,24)
InChIKeySPGUECLXWRBNML-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.08
Rot. Bonds6

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 69059309) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID69059309
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2cc(CCO)[nH]n2)ccc1Cl
InChIInChI=1S/C20H26ClN3O3/c21-17-6-5-14(18-12-15(7-10-25)23-24-18)11-16(17)19(26)22-13-20(27)8-3-1-2-4-9-20/h5-6,11-12,25,27H,1-4,7-10,13H2,(H,22,26)(H,23,24)
InChIKeySPGUECLXWRBNML-UHFFFAOYSA-N
XLogP3.08
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 58818168
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
CID 18438675
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
5-[1-(3-amino-2-hydroxypropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide;hydrochloride
CID 69053496
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
2-amino-N-[(1-hydroxycycloheptyl)methyl]-5-[2-(2-hydroxyethyl)pyrazol-3-yl]benzamide
CID 89097129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide (CID 69059309) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2cc(CCO)[nH]n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is SPGUECLXWRBNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-17-6-5-14(18-12-15(7-10-25)23-24-18)11-16(17)19(26)22-13-20(27)8-3-1-2-4-9-20/h5-6,11-12,25,27H,1-4,7-10,13H2,(H,22,26)(H,23,24).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 391.90 g/mol, XLogP of 3.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 69059309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).