1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C17H14N4OS — CID 6625709

IUPAC1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccnc2)c2c1-c1ccccc1SC2
InChIInChI=1S/C17H14N4OS/c1-21-16-12-6-2-3-7-14(12)23-10-13(16)15(20-21)17(22)19-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyMYCGTZOEJHBMTC-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.34
Rot. Bonds2

About 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 6625709) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID6625709
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccnc2)c2c1-c1ccccc1SC2
InChIInChI=1S/C17H14N4OS/c1-21-16-12-6-2-3-7-14(12)23-10-13(16)15(20-21)17(22)19-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyMYCGTZOEJHBMTC-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-(2-chloro-3-pyridinyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 46271902
1-[3-(pyridin-3-ylcarbamoyl)phenyl]-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid
CID 123409611
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
azepan-1-yl-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517040
1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964655
1-methyl-N-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585468
N-(2-fluorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964612
8-chloro-N-(3,5-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000429
N-(2,5-dimethylphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517102
N-(2,5-dimethylphenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517099
1,5-dimethyl-N-pyridin-3-yltriazole-4-carboxamide
CID 56943631

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 6625709) is 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccnc2)c2c1-c1ccccc1SC2.
What is the InChIKey of 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is MYCGTZOEJHBMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-21-16-12-6-2-3-7-14(12)23-10-13(16)15(20-21)17(22)19-11-5-4-8-18-9-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 6625709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).