(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile

C24H25N5 — CID 7358008

IUPAC(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile
SMILESCC1=NN([C@@H](C#N)c2c(C)nn(Cc3ccccc3)c2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H25N5/c1-17-14-22(21-12-8-5-9-13-21)29(26-17)23(15-25)24-18(2)27-28(19(24)3)16-20-10-6-4-7-11-20/h4-13,22-23H,14,16H2,1-3H3/t22-,23-/m0/s1
InChIKeyDYEYSBCOZMYYLU-GOTSBHOMSA-N
MW383.50 g/mol
LogP4.94
Rot. Bonds5

About (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile

(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile (PubChem CID 7358008) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile.

Molecular Properties

Compound Name(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile
PubChem CID7358008
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile
SMILESCC1=NN([C@@H](C#N)c2c(C)nn(Cc3ccccc3)c2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H25N5/c1-17-14-22(21-12-8-5-9-13-21)29(26-17)23(15-25)24-18(2)27-28(19(24)3)16-20-10-6-4-7-11-20/h4-13,22-23H,14,16H2,1-3H3/t22-,23-/m0/s1
InChIKeyDYEYSBCOZMYYLU-GOTSBHOMSA-N
XLogP4.94
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
CID 2989763
(1-benzyl-3,5-dimethylpyrazol-4-yl)-phenyliodanium
CID 56760721
1-benzyl-4-(1-chloro-2,2,2-trifluoroethyl)-3,5-dimethylpyrazole
CID 142754162
[(1R)-1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-ethoxy-2-oxoethyl]azanium
CID 7131708
6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133432328
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
CID 59940821
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
1-benzyl-5-methylpyrazole-3-carbonitrile
CID 66958933
2-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile?
The IUPAC name of (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile (CID 7358008) is (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile.
What is the SMILES notation for (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile?
The canonical SMILES for (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile is CC1=NN([C@@H](C#N)c2c(C)nn(Cc3ccccc3)c2C)[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile?
The InChIKey is DYEYSBCOZMYYLU-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H25N5/c1-17-14-22(21-12-8-5-9-13-21)29(26-17)23(15-25)24-18(2)27-28(19(24)3)16-20-10-6-4-7-11-20/h4-13,22-23H,14,16H2,1-3H3/t22-,23-/m0/s1.
What are the key properties of (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile?
(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile is sourced from PubChem (CID 7358008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).