3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one

C14H21N5O2 — CID 91773915

IUPAC3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one
SMILESCC(O)c1cc2n(n1)CCCN(CCn1cc[nH]c1=O)C2
InChIInChI=1S/C14H21N5O2/c1-11(20)13-9-12-10-17(4-2-5-19(12)16-13)7-8-18-6-3-15-14(18)21/h3,6,9,11,20H,2,4-5,7-8,10H2,1H3,(H,15,21)
InChIKeyIZEZRLSRQOTKGW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.33
Rot. Bonds4

About 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one

3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one (PubChem CID 91773915) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one
PubChem CID91773915
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one
SMILESCC(O)c1cc2n(n1)CCCN(CCn1cc[nH]c1=O)C2
InChIInChI=1S/C14H21N5O2/c1-11(20)13-9-12-10-17(4-2-5-19(12)16-13)7-8-18-6-3-15-14(18)21/h3,6,9,11,20H,2,4-5,7-8,10H2,1H3,(H,15,21)
InChIKeyIZEZRLSRQOTKGW-UHFFFAOYSA-N
XLogP0.33
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one (CID 91773915) is 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one is CC(O)c1cc2n(n1)CCCN(CCn1cc[nH]c1=O)C2.
What is the InChIKey of 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is IZEZRLSRQOTKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(20)13-9-12-10-17(4-2-5-19(12)16-13)7-8-18-6-3-15-14(18)21/h3,6,9,11,20H,2,4-5,7-8,10H2,1H3,(H,15,21).
What are the key properties of 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one?
3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91773915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).