(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone

C19H22N4O — CID 152662041

IUPAC(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone
SMILESCC1CN(C(=O)C2=CC3=C(c4cn[nH]c4)C=CCCC3=C2)CCN1
InChIInChI=1S/C19H22N4O/c1-13-12-23(7-6-20-13)19(24)15-8-14-4-2-3-5-17(18(14)9-15)16-10-21-22-11-16/h3,5,8-11,13,20H,2,4,6-7,12H2,1H3,(H,21,22)
InChIKeyZJTFRUFBTDDEDK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.20
Rot. Bonds2

About (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone

(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone (PubChem CID 152662041) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone
PubChem CID152662041
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone
SMILESCC1CN(C(=O)C2=CC3=C(c4cn[nH]c4)C=CCCC3=C2)CCN1
InChIInChI=1S/C19H22N4O/c1-13-12-23(7-6-20-13)19(24)15-8-14-4-2-3-5-17(18(14)9-15)16-10-21-22-11-16/h3,5,8-11,13,20H,2,4,6-7,12H2,1H3,(H,21,22)
InChIKeyZJTFRUFBTDDEDK-UHFFFAOYSA-N
XLogP2.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone 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 (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone (CID 152662041) is (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone is CC1CN(C(=O)C2=CC3=C(c4cn[nH]c4)C=CCCC3=C2)CCN1.
What is the InChIKey of (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone?
The InChIKey is ZJTFRUFBTDDEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-12-23(7-6-20-13)19(24)15-8-14-4-2-3-5-17(18(14)9-15)16-10-21-22-11-16/h3,5,8-11,13,20H,2,4,6-7,12H2,1H3,(H,21,22).
What are the key properties of (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone?
(3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-[8-(1H-pyrazol-4-yl)-4,5-dihydroazulen-2-yl]methanone is sourced from PubChem (CID 152662041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).