5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide

C14H12ClN5OS — CID 121020001

IUPAC5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN5OS/c1-20-9(6-10(19-20)11-8-16-4-5-17-11)7-18-14(21)12-2-3-13(15)22-12/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyPHFATQFUZAJVJB-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.52
Rot. Bonds4

About 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 121020001) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID121020001
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC Name5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN5OS/c1-20-9(6-10(19-20)11-8-16-4-5-17-11)7-18-14(21)12-2-3-13(15)22-12/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyPHFATQFUZAJVJB-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide (CID 121020001) is 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide is Cn1nc(-c2cnccn2)cc1CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PHFATQFUZAJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c1-20-9(6-10(19-20)11-8-16-4-5-17-11)7-18-14(21)12-2-3-13(15)22-12/h2-6,8H,7H2,1H3,(H,18,21).
What are the key properties of 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 121020001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).