[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone

C17H23N5O2 — CID 99981574

IUPAC[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone
SMILESC[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2
InChIInChI=1S/C17H23N5O2/c1-13(23)15-9-14-10-21(6-2-7-22(14)19-15)16(24)17(3-4-17)11-20-8-5-18-12-20/h5,8-9,12-13,23H,2-4,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeySJICWFARHATJMY-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds4

About [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone

[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 99981574) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID99981574
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone
SMILESC[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2
InChIInChI=1S/C17H23N5O2/c1-13(23)15-9-14-10-21(6-2-7-22(14)19-15)16(24)17(3-4-17)11-20-8-5-18-12-20/h5,8-9,12-13,23H,2-4,6-7,10-11H2,1H3/t13-/m1/s1
InChIKeySJICWFARHATJMY-CYBMUJFWSA-N
XLogP1.35
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone with MolForge

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Related Compounds

4,4,4-trifluoro-1-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
CID 90648288
(3,5-dimethylphenyl)methyl 2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 158098858
4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 91836779
4-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1,3-dihydroimidazol-2-one
CID 99974530
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone;dihydrochloride
CID 154911151
[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131938482
1-[2-[(1S)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 99971901
[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 99974195
3-[2-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 99982099
1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3,3-dimethylbutane-1,2-dione
CID 91780530
[3-chloro-5-(trifluoromethyl)phenyl]methyl 2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 90460564
[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 90654028

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone (CID 99981574) is [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone is C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(Cn3ccnc3)CC1)C2.
What is the InChIKey of [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is SJICWFARHATJMY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(23)15-9-14-10-21(6-2-7-22(14)19-15)16(24)17(3-4-17)11-20-8-5-18-12-20/h5,8-9,12-13,23H,2-4,6-7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone?
[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[1-(imidazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 99981574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).