1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole

C20H28N6 — CID 92612169

IUPAC1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n([C@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)n1
InChIInChI=1S/C20H28N6/c1-15-9-16(2)26(23-15)17(3)12-24-14-21-11-20(24)18-10-22-25(13-18)19-7-5-4-6-8-19/h9-11,13-14,17,19H,4-8,12H2,1-3H3/t17-/m1/s1
InChIKeyXNASIXIZJMIDQN-QGZVFWFLSA-N
MW352.49 g/mol
LogP4.33
Rot. Bonds5

About 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole

1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole (PubChem CID 92612169) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole
PubChem CID92612169
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n([C@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)n1
InChIInChI=1S/C20H28N6/c1-15-9-16(2)26(23-15)17(3)12-24-14-21-11-20(24)18-10-22-25(13-18)19-7-5-4-6-8-19/h9-11,13-14,17,19H,4-8,12H2,1-3H3/t17-/m1/s1
InChIKeyXNASIXIZJMIDQN-QGZVFWFLSA-N
XLogP4.33
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole (CID 92612169) is 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole is Cc1cc(C)n([C@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)n1.
What is the InChIKey of 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole?
The InChIKey is XNASIXIZJMIDQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6/c1-15-9-16(2)26(23-15)17(3)12-24-14-21-11-20(24)18-10-22-25(13-18)19-7-5-4-6-8-19/h9-11,13-14,17,19H,4-8,12H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole?
1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole has a molecular weight of 352.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[5-(1-cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 92612169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).