5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C14H24N4 — CID 133137726

IUPAC5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1Cc2ccnn2CC(CCN2CCCC2)C1
InChIInChI=1S/C14H24N4/c1-16-10-13(5-9-17-7-2-3-8-17)11-18-14(12-16)4-6-15-18/h4,6,13H,2-3,5,7-12H2,1H3
InChIKeyZZJOXGFXLZBMBM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.43
Rot. Bonds3

About 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 133137726) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID133137726
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1Cc2ccnn2CC(CCN2CCCC2)C1
InChIInChI=1S/C14H24N4/c1-16-10-13(5-9-17-7-2-3-8-17)11-18-14(12-16)4-6-15-18/h4,6,13H,2-3,5,7-12H2,1H3
InChIKeyZZJOXGFXLZBMBM-UHFFFAOYSA-N
XLogP1.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 123852001
1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
CID 133143408
1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
CID 124916374
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678549
5-(2-phenylmethoxyethyl)-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647854
(7R)-5-[(3,4-difluorophenyl)methyl]-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124781866
(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124912292
6-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 170078658
N,N-dimethyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131656757
ethane;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 91002841
3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
CID 131678513
7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133136599

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 133137726) is 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CN1Cc2ccnn2CC(CCN2CCCC2)C1.
What is the InChIKey of 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is ZZJOXGFXLZBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-16-10-13(5-9-17-7-2-3-8-17)11-18-14(12-16)4-6-15-18/h4,6,13H,2-3,5,7-12H2,1H3.
What are the key properties of 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 248.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 133137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).