5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide

C14H13N5OS — CID 79611960

IUPAC5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cccnc2-n2cccn2)c1
InChIInChI=1S/C14H13N5OS/c15-13(20)10-7-11(21-9-10)8-17-12-3-1-4-16-14(12)19-6-2-5-18-19/h1-7,9,17H,8H2,(H2,15,20)
InChIKeyLRQHNJPOXIRQEU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.04
Rot. Bonds5

About 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide

5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79611960) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79611960
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cccnc2-n2cccn2)c1
InChIInChI=1S/C14H13N5OS/c15-13(20)10-7-11(21-9-10)8-17-12-3-1-4-16-14(12)19-6-2-5-18-19/h1-7,9,17H,8H2,(H2,15,20)
InChIKeyLRQHNJPOXIRQEU-UHFFFAOYSA-N
XLogP2.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
CID 115735523
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol
CID 43736967
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide (CID 79611960) is 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2cccnc2-n2cccn2)c1.
What is the InChIKey of 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is LRQHNJPOXIRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-13(20)10-7-11(21-9-10)8-17-12-3-1-4-16-14(12)19-6-2-5-18-19/h1-7,9,17H,8H2,(H2,15,20).
What are the key properties of 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).