1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide

C22H22ClN3O — CID 90716009

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2Cc3ccccc3C2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c1-2-5-21-20(14-24-26(21)19-10-8-17(23)9-11-19)22(27)25-18-12-15-6-3-4-7-16(15)13-18/h3-4,6-11,14,18H,2,5,12-13H2,1H3,(H,25,27)
InChIKeyWBSMMZGDLXYPDI-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide (PubChem CID 90716009) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
PubChem CID90716009
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2Cc3ccccc3C2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c1-2-5-21-20(14-24-26(21)19-10-8-17(23)9-11-19)22(27)25-18-12-15-6-3-4-7-16(15)13-18/h3-4,6-11,14,18H,2,5,12-13H2,1H3,(H,25,27)
InChIKeyWBSMMZGDLXYPDI-UHFFFAOYSA-N
XLogP4.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide (CID 90716009) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NC2Cc3ccccc3C2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide?
The InChIKey is WBSMMZGDLXYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-2-5-21-20(14-24-26(21)19-10-8-17(23)9-11-19)22(27)25-18-12-15-6-3-4-7-16(15)13-18/h3-4,6-11,14,18H,2,5,12-13H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 90716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).