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

C19H16ClN3OS — CID 22517092

IUPACN-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3OS/c1-22(13-7-5-6-12(20)10-13)19(24)17-15-11-25-16-9-4-3-8-14(16)18(15)23(2)21-17/h3-10H,11H2,1-2H3
InChIKeyBBZPJHHXAMMDDH-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.62
Rot. Bonds2

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

N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517092) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517092
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3OS/c1-22(13-7-5-6-12(20)10-13)19(24)17-15-11-25-16-9-4-3-8-14(16)18(15)23(2)21-17/h3-10H,11H2,1-2H3
InChIKeyBBZPJHHXAMMDDH-UHFFFAOYSA-N
XLogP4.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517050
(4-methylpiperazin-1-yl)-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517041
ethyl 1-(3-chlorophenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 66581010
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517052
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 6623807
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517079
1-methyl-N-(3-morpholin-4-ylpropyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517044
8-chloro-1-methyl-N-(oxolan-2-ylmethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000395
[4-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
CID 22516820

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517092) is N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is CN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BBZPJHHXAMMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-22(13-7-5-6-12(20)10-13)19(24)17-15-11-25-16-9-4-3-8-14(16)18(15)23(2)21-17/h3-10H,11H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 369.88 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).