[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

C18H23N7O — CID 91784175

IUPAC[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCCc1cnc(N2CCCn3nc(C(O)c4ccnn4C)cc3C2)nc1
InChIInChI=1S/C18H23N7O/c1-3-13-10-19-18(20-11-13)24-7-4-8-25-14(12-24)9-15(22-25)17(26)16-5-6-21-23(16)2/h5-6,9-11,17,26H,3-4,7-8,12H2,1-2H3
InChIKeyRNNHPEBXVMRJFC-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.46
Rot. Bonds4

About [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 91784175) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
PubChem CID91784175
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCCc1cnc(N2CCCn3nc(C(O)c4ccnn4C)cc3C2)nc1
InChIInChI=1S/C18H23N7O/c1-3-13-10-19-18(20-11-13)24-7-4-8-25-14(12-24)9-15(22-25)17(26)16-5-6-21-23(16)2/h5-6,9-11,17,26H,3-4,7-8,12H2,1-2H3
InChIKeyRNNHPEBXVMRJFC-UHFFFAOYSA-N
XLogP1.46
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol 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-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyridine-3-carbonitrile
CID 91764207
[5-(1,4-dithiepan-6-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 90652447
N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 91767868
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyrrol-1-ylethanone
CID 91774118
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-3-ylethanone
CID 91783511
2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91791063
(2-methylpyrazol-3-yl)-[5-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91774186
[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91786319
[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91798021
(2-methylpyrazol-3-yl)-[5-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91773026
[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91787215
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91767864

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (CID 91784175) is [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is CCc1cnc(N2CCCn3nc(C(O)c4ccnn4C)cc3C2)nc1.
What is the InChIKey of [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is RNNHPEBXVMRJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-13-10-19-18(20-11-13)24-7-4-8-25-14(12-24)9-15(22-25)17(26)16-5-6-21-23(16)2/h5-6,9-11,17,26H,3-4,7-8,12H2,1-2H3.
What are the key properties of [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 353.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 91784175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).