2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C15H24N4 — CID 99930069

IUPAC2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCC(C)[C@H]1C=CCN1Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C15H24N4/c1-12(2)15-5-3-7-18(15)11-13-9-14-10-16-6-4-8-19(14)17-13/h3,5,9,12,15-16H,4,6-8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHZXJBHKVVUVUJI-OAHLLOKOSA-N
MW260.38 g/mol
LogP1.77
Rot. Bonds3

About 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 99930069) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID99930069
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCC(C)[C@H]1C=CCN1Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C15H24N4/c1-12(2)15-5-3-7-18(15)11-13-9-14-10-16-6-4-8-19(14)17-13/h3,5,9,12,15-16H,4,6-8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHZXJBHKVVUVUJI-OAHLLOKOSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 99930069) is 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CC(C)[C@H]1C=CCN1Cc1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is HZXJBHKVVUVUJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(2)15-5-3-7-18(15)11-13-9-14-10-16-6-4-8-19(14)17-13/h3,5,9,12,15-16H,4,6-8,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 260.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 99930069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).