(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide

C19H24N4O — CID 97444484

IUPAC(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
SMILESCC[C@@H]1C=CCN1C(=O)Nc1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H24N4O/c1-4-18-6-5-11-22(18)19(24)20-17-9-7-16(8-10-17)13-23-15(3)12-14(2)21-23/h5-10,12,18H,4,11,13H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyGJUXLRKREZUEPF-GOSISDBHSA-N
MW324.43 g/mol
LogP3.73
Rot. Bonds4

About (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide

(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 97444484) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID97444484
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
SMILESCC[C@@H]1C=CCN1C(=O)Nc1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H24N4O/c1-4-18-6-5-11-22(18)19(24)20-17-9-7-16(8-10-17)13-23-15(3)12-14(2)21-23/h5-10,12,18H,4,11,13H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyGJUXLRKREZUEPF-GOSISDBHSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
CID 48984995
(2S)-N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide
CID 97444443
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 72907928
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
CID 72898179
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 126449953
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide (CID 97444484) is (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide is CC[C@@H]1C=CCN1C(=O)Nc1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is GJUXLRKREZUEPF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-18-6-5-11-22(18)19(24)20-17-9-7-16(8-10-17)13-23-15(3)12-14(2)21-23/h5-10,12,18H,4,11,13H2,1-3H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide?
(2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-ethyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 97444484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).