N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C25H30N4O — CID 110229774

IUPACN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cnn(C)c2)C1
InChIInChI=1S/C25H30N4O/c1-27(2)24(30)25(12-13-29(19-25)18-21-16-26-28(3)17-21)15-20-8-7-11-23(14-20)22-9-5-4-6-10-22/h4-11,14,16-17H,12-13,15,18-19H2,1-3H3
InChIKeyMQHFVDVDWQPHJD-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.61
Rot. Bonds6

About N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229774) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229774
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cnn(C)c2)C1
InChIInChI=1S/C25H30N4O/c1-27(2)24(30)25(12-13-29(19-25)18-21-16-26-28(3)17-21)15-20-8-7-11-23(14-20)22-9-5-4-6-10-22/h4-11,14,16-17H,12-13,15,18-19H2,1-3H3
InChIKeyMQHFVDVDWQPHJD-UHFFFAOYSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92558379
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(1-propylpyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 92590805
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110229677
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
CID 155982938
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
N,N-dimethyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231344

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229774) is N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cnn(C)c2)C1.
What is the InChIKey of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is MQHFVDVDWQPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-27(2)24(30)25(12-13-29(19-25)18-21-16-26-28(3)17-21)15-20-8-7-11-23(14-20)22-9-5-4-6-10-22/h4-11,14,16-17H,12-13,15,18-19H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).