1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C21H23N5O2 — CID 45215654

IUPAC1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCn1ccc(CC(=O)N2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C21H23N5O2/c1-24-12-8-16(15-24)13-20(27)25-10-3-7-19(25)21(28)23-17-5-2-6-18(14-17)26-11-4-9-22-26/h2,4-6,8-9,11-12,14-15,19H,3,7,10,13H2,1H3,(H,23,28)
InChIKeyJOQSZPMWFSDOFV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 45215654) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID45215654
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCn1ccc(CC(=O)N2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C21H23N5O2/c1-24-12-8-16(15-24)13-20(27)25-10-3-7-19(25)21(28)23-17-5-2-6-18(14-17)26-11-4-9-22-26/h2,4-6,8-9,11-12,14-15,19H,3,7,10,13H2,1H3,(H,23,28)
InChIKeyJOQSZPMWFSDOFV-UHFFFAOYSA-N
XLogP2.38
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
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(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 45215654) is 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is Cn1ccc(CC(=O)N2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is JOQSZPMWFSDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-12-8-16(15-24)13-20(27)25-10-3-7-19(25)21(28)23-17-5-2-6-18(14-17)26-11-4-9-22-26/h2,4-6,8-9,11-12,14-15,19H,3,7,10,13H2,1H3,(H,23,28).
What are the key properties of 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45215654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).