(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide

C25H28N4O — CID 158031706

IUPAC(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide
SMILESC=C1C[C@@H](C(=O)Nc2cc(-c3cccc(CCCC)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C25H28N4O/c1-3-4-9-19-10-8-11-20(15-19)23-16-24(27-25(30)21-14-18(2)26-17-21)28-29(23)22-12-6-5-7-13-22/h5-8,10-13,15-16,21,26H,2-4,9,14,17H2,1H3,(H,27,28,30)/t21-/m1/s1
InChIKeyHEVOIILXXIIVGT-OAQYLSRUSA-N
MW400.53 g/mol
LogP4.94
Rot. Bonds7

About (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide

(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide (PubChem CID 158031706) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide
PubChem CID158031706
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide
SMILESC=C1C[C@@H](C(=O)Nc2cc(-c3cccc(CCCC)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C25H28N4O/c1-3-4-9-19-10-8-11-20(15-19)23-16-24(27-25(30)21-14-18(2)26-17-21)28-29(23)22-12-6-5-7-13-22/h5-8,10-13,15-16,21,26H,2-4,9,14,17H2,1H3,(H,27,28,30)/t21-/m1/s1
InChIKeyHEVOIILXXIIVGT-OAQYLSRUSA-N
XLogP4.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[5-(3-butylphenyl)-1-ethylpyrazol-3-yl]-6-methylidenepiperidine-3-carboxamide
CID 139397692
(3S)-N-[1-(3-hydroxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476601
(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477020
(3R)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90656989
(3S)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476870
2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476717
(3S)-5-oxo-N-[1-[3-(propan-2-yloxymethyl)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476612
(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476663
(3S)-N-[1-(2-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477035
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476932
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476607

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide (CID 158031706) is (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide is C=C1C[C@@H](C(=O)Nc2cc(-c3cccc(CCCC)c3)n(-c3ccccc3)n2)CN1.
What is the InChIKey of (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide?
The InChIKey is HEVOIILXXIIVGT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-4-9-19-10-8-11-20(15-19)23-16-24(27-25(30)21-14-18(2)26-17-21)28-29(23)22-12-6-5-7-13-22/h5-8,10-13,15-16,21,26H,2-4,9,14,17H2,1H3,(H,27,28,30)/t21-/m1/s1.
What are the key properties of (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide?
(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide is sourced from PubChem (CID 158031706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).