3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide

C22H22ClN3O — CID 142429020

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide
SMILESCc1nn(-c2cccc(C(=O)N(C)c3ccc4c(c3)CCC4)c2)c(C)c1Cl
InChIInChI=1S/C22H22ClN3O/c1-14-21(23)15(2)26(24-14)20-9-5-8-18(13-20)22(27)25(3)19-11-10-16-6-4-7-17(16)12-19/h5,8-13H,4,6-7H2,1-3H3
InChIKeyBPGMAMUDJIAWRT-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.91
Rot. Bonds3

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide (PubChem CID 142429020) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide
PubChem CID142429020
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide
SMILESCc1nn(-c2cccc(C(=O)N(C)c3ccc4c(c3)CCC4)c2)c(C)c1Cl
InChIInChI=1S/C22H22ClN3O/c1-14-21(23)15(2)26(24-14)20-9-5-8-18(13-20)22(27)25(3)19-11-10-16-6-4-7-17(16)12-19/h5,8-13H,4,6-7H2,1-3H3
InChIKeyBPGMAMUDJIAWRT-UHFFFAOYSA-N
XLogP4.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide (CID 142429020) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide is Cc1nn(-c2cccc(C(=O)N(C)c3ccc4c(c3)CCC4)c2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide?
The InChIKey is BPGMAMUDJIAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-14-21(23)15(2)26(24-14)20-9-5-8-18(13-20)22(27)25(3)19-11-10-16-6-4-7-17(16)12-19/h5,8-13H,4,6-7H2,1-3H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide has a molecular weight of 379.89 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)-N-methylbenzamide is sourced from PubChem (CID 142429020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).