1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide

C20H23N5O3 — CID 110247020

IUPAC1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N1CC(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C20H23N5O3/c1-14(26)24-9-3-7-18(24)20(28)23-12-15(13-23)19(27)22-16-5-2-6-17(11-16)25-10-4-8-21-25/h2,4-6,8,10-11,15,18H,3,7,9,12-13H2,1H3,(H,22,27)
InChIKeyZOXHNNMABCFTTR-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.28
Rot. Bonds4

About 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide

1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide (PubChem CID 110247020) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
PubChem CID110247020
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N1CC(C(=O)Nc2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C20H23N5O3/c1-14(26)24-9-3-7-18(24)20(28)23-12-15(13-23)19(27)22-16-5-2-6-17(11-16)25-10-4-8-21-25/h2,4-6,8,10-11,15,18H,3,7,9,12-13H2,1H3,(H,22,27)
InChIKeyZOXHNNMABCFTTR-UHFFFAOYSA-N
XLogP1.28
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
(2R)-1-N-prop-2-enyl-2-N-(3-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 42595070
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26324219
ethyl 4-[3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45230119
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide (CID 110247020) is 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide is CC(=O)N1CCCC1C(=O)N1CC(C(=O)Nc2cccc(-n3cccn3)c2)C1.
What is the InChIKey of 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide?
The InChIKey is ZOXHNNMABCFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14(26)24-9-3-7-18(24)20(28)23-12-15(13-23)19(27)22-16-5-2-6-17(11-16)25-10-4-8-21-25/h2,4-6,8,10-11,15,18H,3,7,9,12-13H2,1H3,(H,22,27).
What are the key properties of 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide?
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 110247020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).