1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide

C16H23N3OS — CID 58825321

IUPAC1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccsc1C(C)CC(C)C
InChIInChI=1S/C16H23N3OS/c1-10(2)8-11(3)15-14(6-7-21-15)17-16(20)13-9-19(5)18-12(13)4/h6-7,9-11H,8H2,1-5H3,(H,17,20)
InChIKeyCXCKYRDBLSJMOC-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.19
Rot. Bonds5

About 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide (PubChem CID 58825321) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
PubChem CID58825321
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccsc1C(C)CC(C)C
InChIInChI=1S/C16H23N3OS/c1-10(2)8-11(3)15-14(6-7-21-15)17-16(20)13-9-19(5)18-12(13)4/h6-7,9-11H,8H2,1-5H3,(H,17,20)
InChIKeyCXCKYRDBLSJMOC-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Penthiopyrad
CID 11388558
N-[2-(3-hydroxy-1,3-dimethylbutyl) thiophen-3-yl]-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxamide
CID 139596681
Penthiopyrad metabolite M11
CID 139595989
Penthiopyrad metabolite M12
CID 139597729
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N,N-dimethyl-1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 976339
N-[2-(diethylamino)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 9551906
1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9207408
{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16190649

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide (CID 58825321) is 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccsc1C(C)CC(C)C.
What is the InChIKey of 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
The InChIKey is CXCKYRDBLSJMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(2)8-11(3)15-14(6-7-21-15)17-16(20)13-9-19(5)18-12(13)4/h6-7,9-11H,8H2,1-5H3,(H,17,20).
What are the key properties of 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 58825321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).