N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C19H16ClN3OS — CID 20964659

IUPACN-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)Nc3ccccc3Cl)nn1C)CS2
InChIInChI=1S/C19H16ClN3OS/c1-11-7-8-16-12(9-11)18-13(10-25-16)17(22-23(18)2)19(24)21-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyOWAPKUYNHMLQHO-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.91
Rot. Bonds2

About N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 20964659) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID20964659
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1c(c(C(=O)Nc3ccccc3Cl)nn1C)CS2
InChIInChI=1S/C19H16ClN3OS/c1-11-7-8-16-12(9-11)18-13(10-25-16)17(22-23(18)2)19(24)21-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyOWAPKUYNHMLQHO-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964612
1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964655
N-(2-chloro-3-pyridinyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 46271902
N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964624
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964643
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389083
N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517052
8-chloro-1-methyl-N-(oxolan-2-ylmethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000395
N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948601

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 20964659) is N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cc1ccc2c(c1)-c1c(c(C(=O)Nc3ccccc3Cl)nn1C)CS2.
What is the InChIKey of N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is OWAPKUYNHMLQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-11-7-8-16-12(9-11)18-13(10-25-16)17(22-23(18)2)19(24)21-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 369.88 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 20964659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).