1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C26H32N4O2 — CID 60556416

IUPAC1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H32N4O2/c31-24(27-16-17-3-5-21(6-4-17)22-7-8-28-29-22)23-2-1-9-30(23)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-8,18-20,23H,1-2,9-16H2,(H,27,31)(H,28,29)
InChIKeyDBXRFIWLGRQMRW-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.90
Rot. Bonds5

About 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60556416) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID60556416
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H32N4O2/c31-24(27-16-17-3-5-21(6-4-17)22-7-8-28-29-22)23-2-1-9-30(23)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-8,18-20,23H,1-2,9-16H2,(H,27,31)(H,28,29)
InChIKeyDBXRFIWLGRQMRW-UHFFFAOYSA-N
XLogP3.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 60556416) is 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(-c2ccn[nH]2)cc1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DBXRFIWLGRQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-24(27-16-17-3-5-21(6-4-17)22-7-8-28-29-22)23-2-1-9-30(23)25(32)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-8,18-20,23H,1-2,9-16H2,(H,27,31)(H,28,29).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60556416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).