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

C14H22N4O — CID 71971097

IUPAC(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-6-8-18(9-7-17)14(19)11-4-3-5-13-12(11)10-15-16-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyUDZSWNGUTUSBDK-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds2

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

(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (PubChem CID 71971097) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
PubChem CID71971097
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-6-8-18(9-7-17)14(19)11-4-3-5-13-12(11)10-15-16-13/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyUDZSWNGUTUSBDK-UHFFFAOYSA-N
XLogP0.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920574
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-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (CID 71971097) is (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is CCN1CCN(C(=O)C2CCCc3[nH]ncc32)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The InChIKey is UDZSWNGUTUSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-17-6-8-18(9-7-17)14(19)11-4-3-5-13-12(11)10-15-16-13/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is sourced from PubChem (CID 71971097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).