4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

C15H14N4O2S — CID 161037055

IUPAC4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1
InChIInChI=1S/C15H14N4O2S/c1-21-12-8-13(22-10-12)15(20)17-14-5-7-19(18-14)9-11-4-2-3-6-16-11/h2-8,10H,9H2,1H3,(H,17,18,20)
InChIKeyUAJSRAKWFMNRNQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.65
Rot. Bonds5

About 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 161037055) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID161037055
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1
InChIInChI=1S/C15H14N4O2S/c1-21-12-8-13(22-10-12)15(20)17-14-5-7-19(18-14)9-11-4-2-3-6-16-11/h2-8,10H,9H2,1H3,(H,17,18,20)
InChIKeyUAJSRAKWFMNRNQ-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
N-(2-chloro-3-pyridinyl)-4-methoxythiophene-2-carboxamide
CID 103719575
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 95899176

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 161037055) is 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is COc1csc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1.
What is the InChIKey of 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is UAJSRAKWFMNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-21-12-8-13(22-10-12)15(20)17-14-5-7-19(18-14)9-11-4-2-3-6-16-11/h2-8,10H,9H2,1H3,(H,17,18,20).
What are the key properties of 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161037055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).