N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide

C15H15N3OS2 — CID 155800975

IUPACN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3ccsc3)s2)cn1
InChIInChI=1S/C15H15N3OS2/c1-18-9-12(8-17-18)14-3-2-13(21-14)4-6-16-15(19)11-5-7-20-10-11/h2-3,5,7-10H,4,6H2,1H3,(H,16,19)
InChIKeyTXRXHHDJWKICKV-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide

N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 155800975) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID155800975
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3ccsc3)s2)cn1
InChIInChI=1S/C15H15N3OS2/c1-18-9-12(8-17-18)14-3-2-13(21-14)4-6-16-15(19)11-5-7-20-10-11/h2-3,5,7-10H,4,6H2,1H3,(H,16,19)
InChIKeyTXRXHHDJWKICKV-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide (CID 155800975) is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide is Cn1cc(-c2ccc(CCNC(=O)c3ccsc3)s2)cn1.
What is the InChIKey of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is TXRXHHDJWKICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-18-9-12(8-17-18)14-3-2-13(21-14)4-6-16-15(19)11-5-7-20-10-11/h2-3,5,7-10H,4,6H2,1H3,(H,16,19).
What are the key properties of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide?
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 155800975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).