N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

C14H19N3OS — CID 19585651

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C14H19N3OS/c1-5-17-12(6-7-15-17)9-16(4)14(18)13-8-10(2)11(3)19-13/h6-8H,5,9H2,1-4H3
InChIKeyCNEWNNDZJRSUAQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (PubChem CID 19585651) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
PubChem CID19585651
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C14H19N3OS/c1-5-17-12(6-7-15-17)9-16(4)14(18)13-8-10(2)11(3)19-13/h6-8H,5,9H2,1-4H3
InChIKeyCNEWNNDZJRSUAQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (CID 19585651) is N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide is CCn1nccc1CN(C)C(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The InChIKey is CNEWNNDZJRSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-17-12(6-7-15-17)9-16(4)14(18)13-8-10(2)11(3)19-13/h6-8H,5,9H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N,4,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 19585651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).