5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

C22H24N6O3 — CID 167446105

IUPAC5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESN#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)C1CCCN1C(=O)Cc1cn[nH]c1
InChIInChI=1S/C22H24N6O3/c23-11-18-10-16(21(30)26-17-5-2-1-3-6-17)14-28(18)22(31)19-7-4-8-27(19)20(29)9-15-12-24-25-13-15/h1-3,5-6,12-13,16,18-19H,4,7-10,14H2,(H,24,25)(H,26,30)
InChIKeyLFGKALJWXBVGQJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.32
Rot. Bonds5

About 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide

5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 167446105) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID167446105
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
SMILESN#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)C1CCCN1C(=O)Cc1cn[nH]c1
InChIInChI=1S/C22H24N6O3/c23-11-18-10-16(21(30)26-17-5-2-1-3-6-17)14-28(18)22(31)19-7-4-8-27(19)20(29)9-15-12-24-25-13-15/h1-3,5-6,12-13,16,18-19H,4,7-10,14H2,(H,24,25)(H,26,30)
InChIKeyLFGKALJWXBVGQJ-UHFFFAOYSA-N
XLogP1.32
TPSA122.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide
CID 168892815
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
5-cyano-1-N-cyclopropyl-3-N-phenylpyrrolidine-1,3-dicarboxamide;ethane
CID 168892814
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
5-(2-cyanopyrrolidine-1-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 73033242
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
5-cyano-1-[2-[methyl-[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372804
benzyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167075310
1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 47727451
N-[4-[(E)-2-[4-[[(1R)-3-acetylcyclohexanecarbonyl]amino]phenyl]ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 143367439
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide (CID 167446105) is 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is N#CC1CC(C(=O)Nc2ccccc2)CN1C(=O)C1CCCN1C(=O)Cc1cn[nH]c1.
What is the InChIKey of 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is LFGKALJWXBVGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c23-11-18-10-16(21(30)26-17-5-2-1-3-6-17)14-28(18)22(31)19-7-4-8-27(19)20(29)9-15-12-24-25-13-15/h1-3,5-6,12-13,16,18-19H,4,7-10,14H2,(H,24,25)(H,26,30).
What are the key properties of 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide?
5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-phenyl-1-[1-[2-(1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167446105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).