N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

C15H20N4OS — CID 118740152

IUPACN-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2sccc2C)C1
InChIInChI=1S/C15H20N4OS/c1-10-4-6-21-13(10)9-19-5-3-11(8-19)14-12(7-17-18-14)15(20)16-2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyRNXAHMHIZXRNMS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 118740152) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID118740152
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCN(Cc2sccc2C)C1
InChIInChI=1S/C15H20N4OS/c1-10-4-6-21-13(10)9-19-5-3-11(8-19)14-12(7-17-18-14)15(20)16-2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyRNXAHMHIZXRNMS-UHFFFAOYSA-N
XLogP2.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (CID 118740152) is N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCN(Cc2sccc2C)C1.
What is the InChIKey of N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RNXAHMHIZXRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-4-6-21-13(10)9-19-5-3-11(8-19)14-12(7-17-18-14)15(20)16-2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118740152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).