1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

C18H23N3O — CID 175873540

IUPAC1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2cccc3c2C(C)CC3(C)C)c1C(N)=O
InChIInChI=1S/C18H23N3O/c1-10-9-18(3,4)13-8-6-7-12(14(10)13)16-15(17(19)22)11(2)20-21(16)5/h6-8,10H,9H2,1-5H3,(H2,19,22)
InChIKeyDPYRCEZZKJMKCU-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.28
Rot. Bonds2

About 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (PubChem CID 175873540) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
PubChem CID175873540
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2cccc3c2C(C)CC3(C)C)c1C(N)=O
InChIInChI=1S/C18H23N3O/c1-10-9-18(3,4)13-8-6-7-12(14(10)13)16-15(17(19)22)11(2)20-21(16)5/h6-8,10H,9H2,1-5H3,(H2,19,22)
InChIKeyDPYRCEZZKJMKCU-UHFFFAOYSA-N
XLogP3.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (CID 175873540) is 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is Cc1nn(C)c(-c2cccc3c2C(C)CC3(C)C)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The InChIKey is DPYRCEZZKJMKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-10-9-18(3,4)13-8-6-7-12(14(10)13)16-15(17(19)22)11(2)20-21(16)5/h6-8,10H,9H2,1-5H3,(H2,19,22).
What are the key properties of 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175873540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).