(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide

C23H25N5O — CID 9436928

IUPAC(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C23H25N5O/c1-16-22(17(2)28(26-16)21-8-6-5-7-9-21)15-27(4)18(3)23(29)25-20-12-10-19(14-24)11-13-20/h5-13,18H,15H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyFFBSDSSAGFOHTH-GOSISDBHSA-N
MW387.49 g/mol
LogP3.82
Rot. Bonds6

About (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide

(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide (PubChem CID 9436928) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
PubChem CID9436928
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C23H25N5O/c1-16-22(17(2)28(26-16)21-8-6-5-7-9-21)15-27(4)18(3)23(29)25-20-12-10-19(14-24)11-13-20/h5-13,18H,15H2,1-4H3,(H,25,29)/t18-/m1/s1
InChIKeyFFBSDSSAGFOHTH-GOSISDBHSA-N
XLogP3.82
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436816
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-prop-2-ynylpropanamide
CID 78842642
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
(2S)-N-carbamoyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 8993657
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9436914
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(E)-3-(4-cyanophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 9118596
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 51922677
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
2-[[(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41135568

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide (CID 9436928) is (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide?
The InChIKey is FFBSDSSAGFOHTH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-22(17(2)28(26-16)21-8-6-5-7-9-21)15-27(4)18(3)23(29)25-20-12-10-19(14-24)11-13-20/h5-13,18H,15H2,1-4H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide?
(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide has a molecular weight of 387.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 9436928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).