(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone

C14H21ClN4O2 — CID 176704421

IUPAC(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone
SMILESCCN1CCCn2nc(C(=O)N3CCOCC3)c(Cl)c2C1
InChIInChI=1S/C14H21ClN4O2/c1-2-17-4-3-5-19-11(10-17)12(15)13(16-19)14(20)18-6-8-21-9-7-18/h2-10H2,1H3
InChIKeyQDWQRNVFMRTVPY-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.23
Rot. Bonds2

About (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone

(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone (PubChem CID 176704421) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone
PubChem CID176704421
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone
SMILESCCN1CCCn2nc(C(=O)N3CCOCC3)c(Cl)c2C1
InChIInChI=1S/C14H21ClN4O2/c1-2-17-4-3-5-19-11(10-17)12(15)13(16-19)14(20)18-6-8-21-9-7-18/h2-10H2,1H3
InChIKeyQDWQRNVFMRTVPY-UHFFFAOYSA-N
XLogP1.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 176920857
(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 169145873
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959655
(3-aminopyrrolidin-1-yl)-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone;ethane
CID 178025444
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-pyrrolidin-1-ylmethanone
CID 91959647
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 155901237
(3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 91959735
(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
CID 138035622
3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 143156203
[5-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morpholin-4-ylmethanone
CID 50980988
3-chloro-5-[(3,5-dimethylphenyl)methoxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 158667245
cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 91917561

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone (CID 176704421) is (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone is CCN1CCCn2nc(C(=O)N3CCOCC3)c(Cl)c2C1.
What is the InChIKey of (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is QDWQRNVFMRTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-2-17-4-3-5-19-11(10-17)12(15)13(16-19)14(20)18-6-8-21-9-7-18/h2-10H2,1H3.
What are the key properties of (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone?
(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 312.80 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 176704421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).