2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide

C20H28N4O2 — CID 70772509

IUPAC2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1
InChIInChI=1S/C20H28N4O2/c1-15(2)13-23-7-4-8-24-18(14-23)11-17(22-24)12-21-20(26)10-16-5-3-6-19(25)9-16/h3,5-6,9,11,15,25H,4,7-8,10,12-14H2,1-2H3,(H,21,26)
InChIKeyCTVFMJKHDHLKKO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide

2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (PubChem CID 70772509) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
PubChem CID70772509
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1
InChIInChI=1S/C20H28N4O2/c1-15(2)13-23-7-4-8-24-18(14-23)11-17(22-24)12-21-20(26)10-16-5-3-6-19(25)9-16/h3,5-6,9,11,15,25H,4,7-8,10,12-14H2,1-2H3,(H,21,26)
InChIKeyCTVFMJKHDHLKKO-UHFFFAOYSA-N
XLogP2.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(3-hydroxy-2-methylbenzoyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50984025
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 72844797
3-{[2-[3-oxo-3-(1-pyrrolidinyl)propyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methyl}phenol
CID 72852869
N-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazol-4-yl]-2-(3-hydroxyphenyl)-2-methylpropanamide
CID 164636386
(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide
CID 164641903
N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-L-tyrosinamide
CID 70735857
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 56193272
2-(3-fluoro-4-hydroxyphenyl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70738420
N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 75395476
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide
CID 103939992
3-(3-hydroxyphenyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}propanamide
CID 118792232
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-2-(3-methoxyphenyl)acetamide
CID 121139555

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide (CID 70772509) is 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is CC(C)CN1CCCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
The InChIKey is CTVFMJKHDHLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)13-23-7-4-8-24-18(14-23)11-17(22-24)12-21-20(26)10-16-5-3-6-19(25)9-16/h3,5-6,9,11,15,25H,4,7-8,10,12-14H2,1-2H3,(H,21,26).
What are the key properties of 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide?
2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide is sourced from PubChem (CID 70772509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).