N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide

C20H22N4OS — CID 55663124

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)n[nH]1
InChIInChI=1S/C20H22N4OS/c1-2-5-15-12-17(23-22-15)20(25)21-16-6-3-4-7-18(16)24-10-8-19-14(13-24)9-11-26-19/h3-4,6-7,9,11-12H,2,5,8,10,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQBWJNFMWHJDXKN-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.24
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55663124) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55663124
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)n[nH]1
InChIInChI=1S/C20H22N4OS/c1-2-5-15-12-17(23-22-15)20(25)21-16-6-3-4-7-18(16)24-10-8-19-14(13-24)9-11-26-19/h3-4,6-7,9,11-12H,2,5,8,10,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQBWJNFMWHJDXKN-UHFFFAOYSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55762467
1-tert-butyl-5-cyclopropyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]pyrazole-3-carboxamide
CID 55873188
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 55777745
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 55787212
(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 98732129
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]acetamide
CID 55762245
2-(3-chlorophenoxy)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propanamide
CID 55664221
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]prop-2-enamide
CID 55925197
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55762563
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 55663124) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)n[nH]1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is QBWJNFMWHJDXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-5-15-12-17(23-22-15)20(25)21-16-6-3-4-7-18(16)24-10-8-19-14(13-24)9-11-26-19/h3-4,6-7,9,11-12H,2,5,8,10,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55663124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).