5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide

C20H18ClN5O2 — CID 99701297

IUPAC5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cnn1-c1ccccc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)21)19(27)24-14-6-7-17-13(10-14)8-9-25(17)20(22)28/h2-7,10-11H,8-9H2,1H3,(H2,22,28)(H,24,27)
InChIKeyHPVMFAUMBMAZRP-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.53
Rot. Bonds3

About 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide

5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide (PubChem CID 99701297) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
PubChem CID99701297
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cnn1-c1ccccc1Cl
InChIInChI=1S/C20H18ClN5O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)21)19(27)24-14-6-7-17-13(10-14)8-9-25(17)20(22)28/h2-7,10-11H,8-9H2,1H3,(H2,22,28)(H,24,27)
InChIKeyHPVMFAUMBMAZRP-UHFFFAOYSA-N
XLogP3.53
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
CID 99122312
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide
CID 71844386
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
1-(2-chlorophenyl)-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 22267986
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
1-(2-chlorophenyl)-5-methyl-N-(thian-4-yl)pyrazole-4-carboxamide
CID 56788134
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide (CID 99701297) is 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)cnn1-c1ccccc1Cl.
What is the InChIKey of 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is HPVMFAUMBMAZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-15(11-23-26(12)18-5-3-2-4-16(18)21)19(27)24-14-6-7-17-13(10-14)8-9-25(17)20(22)28/h2-7,10-11H,8-9H2,1H3,(H2,22,28)(H,24,27).
What are the key properties of 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide?
5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 99701297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).