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

C20H20N6OS — CID 91888162

IUPAC1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C20H20N6OS/c1-25-16-6-3-2-5-14(16)19(24-25)20(27)21-13-8-9-26(12-13)18-11-15(22-23-18)17-7-4-10-28-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,23)
InChIKeyYJZCVRIHEFNVCF-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.03
Rot. Bonds4

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

1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide (PubChem CID 91888162) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide
PubChem CID91888162
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C20H20N6OS/c1-25-16-6-3-2-5-14(16)19(24-25)20(27)21-13-8-9-26(12-13)18-11-15(22-23-18)17-7-4-10-28-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,23)
InChIKeyYJZCVRIHEFNVCF-UHFFFAOYSA-N
XLogP3.03
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide (CID 91888162) is 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide is Cn1nc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide?
The InChIKey is YJZCVRIHEFNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-25-16-6-3-2-5-14(16)19(24-25)20(27)21-13-8-9-26(12-13)18-11-15(22-23-18)17-7-4-10-28-17/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,23).
What are the key properties of 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide?
1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 91888162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).