(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

C13H20N4O — CID 71920573

IUPAC(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)10-3-2-4-12-11(10)9-14-15-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyRDAALXDKQQURQD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.60
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (PubChem CID 71920573) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
PubChem CID71920573
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)10-3-2-4-12-11(10)9-14-15-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyRDAALXDKQQURQD-UHFFFAOYSA-N
XLogP0.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-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

Related Compounds

N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 71920562
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920572
azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920574
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 75391498
N,N-diethyl-4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazine-1-carboxamide
CID 75426007
ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate
CID 136559139
(4R)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 164631439
(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 164636087
7-azaspiro[3.5]nonan-7-yl-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]methanone
CID 164642059
N-cyclopropyl-4-(3-fluoro-2,3-dihydropyridin-2-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 89519741
(3S)-1-[(4S)-2-methyl-4,5,6,7-tetrahydroindazole-4-carbonyl]piperidine-3-carboxamide
CID 172908512

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (CID 71920573) is (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is CN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The InChIKey is RDAALXDKQQURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-5-7-17(8-6-16)13(18)10-3-2-4-12-11(10)9-14-15-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is sourced from PubChem (CID 71920573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).