1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine

C23H32N6O — CID 170432337

IUPAC1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine
SMILESC=Cc1nn(C2CCCCO2)c2ccc(-c3cnn(C)c3CN(N)C(C)(C)C)cc12
InChIInChI=1S/C23H32N6O/c1-6-19-17-13-16(10-11-20(17)29(26-19)22-9-7-8-12-30-22)18-14-25-27(5)21(18)15-28(24)23(2,3)4/h6,10-11,13-14,22H,1,7-9,12,15,24H2,2-5H3
InChIKeySCKDUXPBPHZIMP-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.25
Rot. Bonds5

About 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine

1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine (PubChem CID 170432337) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine
PubChem CID170432337
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine
SMILESC=Cc1nn(C2CCCCO2)c2ccc(-c3cnn(C)c3CN(N)C(C)(C)C)cc12
InChIInChI=1S/C23H32N6O/c1-6-19-17-13-16(10-11-20(17)29(26-19)22-9-7-8-12-30-22)18-14-25-27(5)21(18)15-28(24)23(2,3)4/h6,10-11,13-14,22H,1,7-9,12,15,24H2,2-5H3
InChIKeySCKDUXPBPHZIMP-UHFFFAOYSA-N
XLogP4.25
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-propan-2-yloxypyrazol-3-yl]methyl]-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
CID 172572952
methyl 4-[3-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1-methylpyrazol-5-yl]oxypropoxy]-3-iodobenzoate
CID 169094984
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
tert-butyl N-[2-[4-[3-ethynyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]oxyethyl]-N-[(4-iodo-1,3-dimethylpyrazol-5-yl)methyl]carbamate
CID 170434573
3-ethenyl-6-nitro-1-(oxan-2-yl)indazole
CID 22136521
5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 90460795
tert-butyl N-[(2R)-2-[4-[3-ethenyl-7-methyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1-methylpyrazol-5-yl]oxypropyl]carbamate
CID 172572929
(3S)-1-[2-[4-[3-ethynyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]oxyethyl]-3-hydroxypyrrolidin-2-one
CID 170434622
3-chloro-5-ethenyl-1-(oxan-2-yl)indazole
CID 176887222
(2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
CID 172573168
(17E)-5,15-dimethyl-21-(oxan-2-yl)-7,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19,22(26),23-nonaene
CID 170449784
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
CID 170648947

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine?
The IUPAC name of 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine (CID 170432337) is 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine.
What is the SMILES notation for 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine?
The canonical SMILES for 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine is C=Cc1nn(C2CCCCO2)c2ccc(-c3cnn(C)c3CN(N)C(C)(C)C)cc12.
What is the InChIKey of 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine?
The InChIKey is SCKDUXPBPHZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-6-19-17-13-16(10-11-20(17)29(26-19)22-9-7-8-12-30-22)18-14-25-27(5)21(18)15-28(24)23(2,3)4/h6,10-11,13-14,22H,1,7-9,12,15,24H2,2-5H3.
What are the key properties of 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine?
1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine has a molecular weight of 408.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-[[4-[3-ethenyl-1-(oxan-2-yl)indazol-5-yl]-1-methylpyrazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 170432337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).