2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide

C21H30N4O2 — CID 70706450

IUPAC2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
SMILESCC(C)c1cc(C(=O)NCc2cc3n(n2)CCCNC3)c(O)c(C(C)C)c1
InChIInChI=1S/C21H30N4O2/c1-13(2)15-8-18(14(3)4)20(26)19(9-15)21(27)23-11-16-10-17-12-22-6-5-7-25(17)24-16/h8-10,13-14,22,26H,5-7,11-12H2,1-4H3,(H,23,27)
InChIKeyOBFSQIKFNGHGIM-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.26
Rot. Bonds5

About 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide

2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide (PubChem CID 70706450) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
PubChem CID70706450
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
SMILESCC(C)c1cc(C(=O)NCc2cc3n(n2)CCCNC3)c(O)c(C(C)C)c1
InChIInChI=1S/C21H30N4O2/c1-13(2)15-8-18(14(3)4)20(26)19(9-15)21(27)23-11-16-10-17-12-22-6-5-7-25(17)24-16/h8-10,13-14,22,26H,5-7,11-12H2,1-4H3,(H,23,27)
InChIKeyOBFSQIKFNGHGIM-UHFFFAOYSA-N
XLogP3.26
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide with MolForge

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Related Compounds

4-(6-aminopyrimidin-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
CID 121498277
5-(4-fluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 167922139
2-chloro-5-piperidin-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70719066
1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3-(2-thiophen-2-ylethyl)urea
CID 70726013
6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide
CID 74238297
3-(1H-imidazol-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide;dihydrochloride
CID 154900753
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 70704686
N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 176890096
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711394
2-(1,1,2,2-tetrafluoroethoxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide;hydrochloride
CID 154897110
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide (CID 70706450) is 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide is CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCNC3)c(O)c(C(C)C)c1.
What is the InChIKey of 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide?
The InChIKey is OBFSQIKFNGHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(2)15-8-18(14(3)4)20(26)19(9-15)21(27)23-11-16-10-17-12-22-6-5-7-25(17)24-16/h8-10,13-14,22,26H,5-7,11-12H2,1-4H3,(H,23,27).
What are the key properties of 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide?
2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide has a molecular weight of 370.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-di(propan-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide is sourced from PubChem (CID 70706450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).