N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C19H24N4O2S — CID 45225945

IUPACN-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C2CCCN2C(=O)c2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C19H24N4O2S/c1-2-20-18(24)16-10-9-15(26-16)14-8-5-11-23(14)19(25)17-12-6-3-4-7-13(12)21-22-17/h9-10,14H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUSVGRJUFVXMBJW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45225945) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45225945
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(C2CCCN2C(=O)c2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C19H24N4O2S/c1-2-20-18(24)16-10-9-15(26-16)14-8-5-11-23(14)19(25)17-12-6-3-4-7-13(12)21-22-17/h9-10,14H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUSVGRJUFVXMBJW-UHFFFAOYSA-N
XLogP3.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45225945) is N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CCNC(=O)c1ccc(C2CCCN2C(=O)c2n[nH]c3c2CCCC3)s1.
What is the InChIKey of N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is USVGRJUFVXMBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-20-18(24)16-10-9-15(26-16)14-8-5-11-23(14)19(25)17-12-6-3-4-7-13(12)21-22-17/h9-10,14H,2-8,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45225945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).