N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide

C20H19N5OS — CID 91888145

IUPACN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C20H19N5OS/c26-20(15-3-1-4-16-14(15)6-8-21-16)22-13-7-9-25(12-13)19-11-17(23-24-19)18-5-2-10-27-18/h1-6,8,10-11,13,21H,7,9,12H2,(H,22,26)(H,23,24)
InChIKeyLGVDTLAUWOHAIU-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide

N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide (PubChem CID 91888145) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
PubChem CID91888145
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C20H19N5OS/c26-20(15-3-1-4-16-14(15)6-8-21-16)22-13-7-9-25(12-13)19-11-17(23-24-19)18-5-2-10-27-18/h1-6,8,10-11,13,21H,7,9,12H2,(H,22,26)(H,23,24)
InChIKeyLGVDTLAUWOHAIU-UHFFFAOYSA-N
XLogP3.63
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide (CID 91888145) is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide?
The InChIKey is LGVDTLAUWOHAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(15-3-1-4-16-14(15)6-8-21-16)22-13-7-9-25(12-13)19-11-17(23-24-19)18-5-2-10-27-18/h1-6,8,10-11,13,21H,7,9,12H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide?
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 91888145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).