2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

C20H25N5 — CID 2989763

IUPAC2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCC1=NN(C(C#N)c2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1
InChIInChI=1S/C20H25N5/c1-14-11-20(4,5)25(22-14)18(12-21)19-15(2)23-24(16(19)3)13-17-9-7-6-8-10-17/h6-10,18H,11,13H2,1-5H3
InChIKeyPYRSKIFXCSBUJK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.97
Rot. Bonds4

About 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (PubChem CID 2989763) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
PubChem CID2989763
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCC1=NN(C(C#N)c2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1
InChIInChI=1S/C20H25N5/c1-14-11-20(4,5)25(22-14)18(12-21)19-15(2)23-24(16(19)3)13-17-9-7-6-8-10-17/h6-10,18H,11,13H2,1-5H3
InChIKeyPYRSKIFXCSBUJK-UHFFFAOYSA-N
XLogP3.97
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile
CID 7358008
(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
CID 7324124
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
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-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]indene-1,3-dione
CID 8855141
2-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278520
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63275185
(1-benzyl-3,5-dimethylpyrazol-4-yl)-phenyliodanium
CID 56760721
1-benzyl-3,5-dimethyl-4-phenyliodanuidylpyrazole
CID 53491199
(1R,2S,6R,7S)-4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 51505726

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CID 2989763) is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The canonical SMILES for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is CC1=NN(C(C#N)c2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1.
What is the InChIKey of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The InChIKey is PYRSKIFXCSBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-11-20(4,5)25(22-14)18(12-21)19-15(2)23-24(16(19)3)13-17-9-7-6-8-10-17/h6-10,18H,11,13H2,1-5H3.
What are the key properties of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is sourced from PubChem (CID 2989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).