N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide

C18H19N3O2S2 — CID 50963095

IUPACN-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C18H19N3O2S2/c1-21(11-12-10-13(20-19-12)15-5-3-9-24-15)18(22)17-7-6-16(25-17)14-4-2-8-23-14/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,19,20)
InChIKeyCRVRQWXYECCCFB-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.32
Rot. Bonds5

About N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide

N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 50963095) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID50963095
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C18H19N3O2S2/c1-21(11-12-10-13(20-19-12)15-5-3-9-24-15)18(22)17-7-6-16(25-17)14-4-2-8-23-14/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,19,20)
InChIKeyCRVRQWXYECCCFB-UHFFFAOYSA-N
XLogP4.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide (CID 50963095) is N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide is CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc(C2CCCO2)s1.
What is the InChIKey of N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CRVRQWXYECCCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-21(11-12-10-13(20-19-12)15-5-3-9-24-15)18(22)17-7-6-16(25-17)14-4-2-8-23-14/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,19,20).
What are the key properties of N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide?
N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 50963095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).