3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole

C15H26N2 — CID 158533758

IUPAC3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
SMILESCc1c2c(nn1C(C)C)CCC(C(C)C)CC2
InChIInChI=1S/C15H26N2/c1-10(2)13-6-8-14-12(5)17(11(3)4)16-15(14)9-7-13/h10-11,13H,6-9H2,1-5H3
InChIKeyAOMSNSTUHJDEGL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.92
Rot. Bonds2

About 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole

3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole (PubChem CID 158533758) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole.

Molecular Properties

Compound Name3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
PubChem CID158533758
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
SMILESCc1c2c(nn1C(C)C)CCC(C(C)C)CC2
InChIInChI=1S/C15H26N2/c1-10(2)13-6-8-14-12(5)17(11(3)4)16-15(14)9-7-13/h10-11,13H,6-9H2,1-5H3
InChIKeyAOMSNSTUHJDEGL-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
CID 84720212
3-(chloromethyl)-2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214424
N-(dicyclopropylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866491
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
1-methyl-7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 115403337
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862794
3-chloro-2-(1-cyclopropylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66022851
2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
CID 70967687
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
CID 83862790
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943486
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105461036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole?
The IUPAC name of 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole (CID 158533758) is 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole.
What is the SMILES notation for 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole?
The canonical SMILES for 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole is Cc1c2c(nn1C(C)C)CCC(C(C)C)CC2.
What is the InChIKey of 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole?
The InChIKey is AOMSNSTUHJDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10(2)13-6-8-14-12(5)17(11(3)4)16-15(14)9-7-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole?
3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole has a molecular weight of 234.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-di(propan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole is sourced from PubChem (CID 158533758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).