(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

C19H24N2O2 — CID 14536090

IUPAC(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
SMILESCn1nc2c(c1C(=O)OCc1ccc(C(C)(C)C)cc1)CCC2
InChIInChI=1S/C19H24N2O2/c1-19(2,3)14-10-8-13(9-11-14)12-23-18(22)17-15-6-5-7-16(15)20-21(17)4/h8-11H,5-7,12H2,1-4H3
InChIKeyJOVQXCSUIYEYJH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.56
Rot. Bonds3

About (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate (PubChem CID 14536090) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
PubChem CID14536090
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
SMILESCn1nc2c(c1C(=O)OCc1ccc(C(C)(C)C)cc1)CCC2
InChIInChI=1S/C19H24N2O2/c1-19(2,3)14-10-8-13(9-11-14)12-23-18(22)17-15-6-5-7-16(15)20-21(17)4/h8-11H,5-7,12H2,1-4H3
InChIKeyJOVQXCSUIYEYJH-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate?
The IUPAC name of (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate (CID 14536090) is (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate.
What is the SMILES notation for (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate?
The canonical SMILES for (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate is Cn1nc2c(c1C(=O)OCc1ccc(C(C)(C)C)cc1)CCC2.
What is the InChIKey of (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate?
The InChIKey is JOVQXCSUIYEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)14-10-8-13(9-11-14)12-23-18(22)17-15-6-5-7-16(15)20-21(17)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate?
(4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate is sourced from PubChem (CID 14536090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).