(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide

C20H19ClN4O — CID 71881537

IUPAC(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN1c2ccccc2C[C@H]1C(N)=O
InChIInChI=1S/C20H19ClN4O/c1-13-16(19(21)25(23-13)15-8-3-2-4-9-15)12-24-17-10-6-5-7-14(17)11-18(24)20(22)26/h2-10,18H,11-12H2,1H3,(H2,22,26)/t18-/m0/s1
InChIKeyZPIOCLDJPXQTFD-SFHVURJKSA-N
MW366.85 g/mol
LogP3.25
Rot. Bonds4

About (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 71881537) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID71881537
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN1c2ccccc2C[C@H]1C(N)=O
InChIInChI=1S/C20H19ClN4O/c1-13-16(19(21)25(23-13)15-8-3-2-4-9-15)12-24-17-10-6-5-7-14(17)11-18(24)20(22)26/h2-10,18H,11-12H2,1H3,(H2,22,26)/t18-/m0/s1
InChIKeyZPIOCLDJPXQTFD-SFHVURJKSA-N
XLogP3.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063628
(3Z)-3-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylidene]-1H-indol-2-one
CID 2370070
2-(1-acetylindazol-3-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130299819
1-[2-[(2S)-2-[(3-chlorophenyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 168298914
4-[3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-yl]-N-[5-(diethylamino)pentan-2-yl]butanamide
CID 44439172
3-[5-(4-Chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
CID 71455320
3-[5-[4-(Dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
CID 71457099
3-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 118738408
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 118738409
3-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 118738428
(3Z)-3-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135576283
(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide
CID 171358801

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide (CID 71881537) is (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1CN1c2ccccc2C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is ZPIOCLDJPXQTFD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-16(19(21)25(23-13)15-8-3-2-4-9-15)12-24-17-10-6-5-7-14(17)11-18(24)20(22)26/h2-10,18H,11-12H2,1H3,(H2,22,26)/t18-/m0/s1.
What are the key properties of (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 71881537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).