5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

C17H16ClN3OS2 — CID 91629207

IUPAC5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClN3OS2/c18-16-4-3-15(24-16)17(22)19-6-7-21-14(11-1-2-11)9-13(20-21)12-5-8-23-10-12/h3-5,8-11H,1-2,6-7H2,(H,19,22)
InChIKeyXVBCJWRCWYQUOX-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.63
Rot. Bonds6

About 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91629207) has the molecular formula C17H16ClN3OS2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID91629207
Molecular FormulaC17H16ClN3OS2
Molecular Weight377.92 g/mol
Exact Mass377.04
IUPAC Name5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C17H16ClN3OS2/c18-16-4-3-15(24-16)17(22)19-6-7-21-14(11-1-2-11)9-13(20-21)12-5-8-23-10-12/h3-5,8-11H,1-2,6-7H2,(H,19,22)
InChIKeyXVBCJWRCWYQUOX-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (CID 91629207) is 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is XVBCJWRCWYQUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS2/c18-16-4-3-15(24-16)17(22)19-6-7-21-14(11-1-2-11)9-13(20-21)12-5-8-23-10-12/h3-5,8-11H,1-2,6-7H2,(H,19,22).
What are the key properties of 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91629207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).