(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide

C28H29N5O2 — CID 92668645

IUPAC(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1
InChIInChI=1S/C28H29N5O2/c1-2-21-12-14-23(15-13-21)30-26(34)22-9-8-18-32(20-22)28(35)25-19-29-33(24-10-4-3-5-11-24)27(25)31-16-6-7-17-31/h3-7,10-17,19,22H,2,8-9,18,20H2,1H3,(H,30,34)/t22-/m1/s1
InChIKeyIFDGEXAEFDPOPX-JOCHJYFZSA-N
MW467.57 g/mol
LogP4.72
Rot. Bonds6

About (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide

(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 92668645) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID92668645
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1
InChIInChI=1S/C28H29N5O2/c1-2-21-12-14-23(15-13-21)30-26(34)22-9-8-18-32(20-22)28(35)25-19-29-33(24-10-4-3-5-11-24)27(25)31-16-6-7-17-31/h3-7,10-17,19,22H,2,8-9,18,20H2,1H3,(H,30,34)/t22-/m1/s1
InChIKeyIFDGEXAEFDPOPX-JOCHJYFZSA-N
XLogP4.72
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide (CID 92668645) is (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1.
What is the InChIKey of (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is IFDGEXAEFDPOPX-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-2-21-12-14-23(15-13-21)30-26(34)22-9-8-18-32(20-22)28(35)25-19-29-33(24-10-4-3-5-11-24)27(25)31-16-6-7-17-31/h3-7,10-17,19,22H,2,8-9,18,20H2,1H3,(H,30,34)/t22-/m1/s1.
What are the key properties of (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide?
(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92668645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).