N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C19H21N5O2S — CID 45236013

About N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45236013) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• PubChem CID: 45236013
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• SMILES: CNC(=O)c1ccc(C2CCCN2C(=O)c2cc(-c3cccn3C)n[nH]2)s1
• InChI: InChI=1S/C19H21N5O2S/c1-20-18(25)17-8-7-16(27-17)15-6-4-10-24(15)19(26)13-11-12(21-22-13)14-5-3-9-23(14)2/h3,5,7-9,11,15H,4,6,10H2,1-2H3,(H,20,25)(H,21,22)
• InChIKey: FXHYJNSNBXDCRE-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45236013) is N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CNC(=O)c1ccc(C2CCCN2C(=O)c2cc(-c3cccn3C)n[nH]2)s1.

What is the InChIKey of N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The InChIKey is FXHYJNSNBXDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-20-18(25)17-8-7-16(27-17)15-6-4-10-24(15)19(26)13-11-12(21-22-13)14-5-3-9-23(14)2/h3,5,7-9,11,15H,4,6,10H2,1-2H3,(H,20,25)(H,21,22).

What are the key properties of N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45236013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).