N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C26H30N4O2 — CID 110243404

IUPACN-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1
InChIInChI=1S/C26H30N4O2/c1-3-27-25(32)26(14-16-29(19-26)24(31)23-13-15-30(4-2)28-23)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-13,15,17H,3-4,14,16,18-19H2,1-2H3,(H,27,32)
InChIKeyWCLAXBLTHKEFRT-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110243404) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110243404
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1
InChIInChI=1S/C26H30N4O2/c1-3-27-25(32)26(14-16-29(19-26)24(31)23-13-15-30(4-2)28-23)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-13,15,17H,3-4,14,16,18-19H2,1-2H3,(H,27,32)
InChIKeyWCLAXBLTHKEFRT-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 92590805
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110229697
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523
(3S)-1-(2,4-dimethylpyrimidine-5-carbonyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592487
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
(3S)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592397
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592398
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110243404) is N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WCLAXBLTHKEFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-27-25(32)26(14-16-29(19-26)24(31)23-13-15-30(4-2)28-23)18-20-9-8-12-22(17-20)21-10-6-5-7-11-21/h5-13,15,17H,3-4,14,16,18-19H2,1-2H3,(H,27,32).
What are the key properties of N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110243404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).