N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide

C17H17N5OS — CID 56786892

IUPACN-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
SMILESCc1cnn(C2CCCc3ccccc32)c1NC(=O)c1csnn1
InChIInChI=1S/C17H17N5OS/c1-11-9-18-22(16(11)19-17(23)14-10-24-21-20-14)15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,19,23)
InChIKeyNQAFMKGHIJWJHK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.22
Rot. Bonds3

About N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide

N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide (PubChem CID 56786892) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
PubChem CID56786892
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
SMILESCc1cnn(C2CCCc3ccccc32)c1NC(=O)c1csnn1
InChIInChI=1S/C17H17N5OS/c1-11-9-18-22(16(11)19-17(23)14-10-24-21-20-14)15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,19,23)
InChIKeyNQAFMKGHIJWJHK-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
CID 97068319
3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
CID 120626408
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
CID 99701920
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 95283928
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52507457
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
CID 52516791
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide (CID 56786892) is N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide is Cc1cnn(C2CCCc3ccccc32)c1NC(=O)c1csnn1.
What is the InChIKey of N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide?
The InChIKey is NQAFMKGHIJWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-9-18-22(16(11)19-17(23)14-10-24-21-20-14)15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,19,23).
What are the key properties of N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide?
N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 56786892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).