1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide

C22H32N4O2 — CID 55600339

IUPAC1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N4O2/c27-20(23-5-2-7-25-8-3-6-24-25)19-4-1-9-26(19)21(28)22-13-16-10-17(14-22)12-18(11-16)15-22/h3,6,8,16-19H,1-2,4-5,7,9-15H2,(H,23,27)
InChIKeyRGBLAYHOKHOLAK-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.60
Rot. Bonds6

About 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 55600339) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID55600339
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N4O2/c27-20(23-5-2-7-25-8-3-6-24-25)19-4-1-9-26(19)21(28)22-13-16-10-17(14-22)12-18(11-16)15-22/h3,6,8,16-19H,1-2,4-5,7,9-15H2,(H,23,27)
InChIKeyRGBLAYHOKHOLAK-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 60569039
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(adamantane-1-carbonyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576835
(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95156095
1-(adamantane-1-carbonyl)-N-[2-(4-chlorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55372770
1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60556416
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
1-(adamantane-1-carbonyl)-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 55962552

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide (CID 55600339) is 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCn1cccn1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is RGBLAYHOKHOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-20(23-5-2-7-25-8-3-6-24-25)19-4-1-9-26(19)21(28)22-13-16-10-17(14-22)12-18(11-16)15-22/h3,6,8,16-19H,1-2,4-5,7,9-15H2,(H,23,27).
What are the key properties of 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55600339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).