N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide

C23H25N3O2 — CID 119061772

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C23H25N3O2/c1-26(15-21-19-11-3-2-4-12-20(19)24-25-21)23(28)17-9-7-8-16(14-17)18-10-5-6-13-22(18)27/h5-10,13-14,27H,2-4,11-12,15H2,1H3,(H,24,25)
InChIKeyRNLGBSSSSNXDAW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.32
Rot. Bonds4

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide (PubChem CID 119061772) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
PubChem CID119061772
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C23H25N3O2/c1-26(15-21-19-11-3-2-4-12-20(19)24-25-21)23(28)17-9-7-8-16(14-17)18-10-5-6-13-22(18)27/h5-10,13-14,27H,2-4,11-12,15H2,1H3,(H,24,25)
InChIKeyRNLGBSSSSNXDAW-UHFFFAOYSA-N
XLogP4.32
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide (CID 119061772) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cccc(-c2ccccc2O)c1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is RNLGBSSSSNXDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-26(15-21-19-11-3-2-4-12-20(19)24-25-21)23(28)17-9-7-8-16(14-17)18-10-5-6-13-22(18)27/h5-10,13-14,27H,2-4,11-12,15H2,1H3,(H,24,25).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 119061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).