4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole

C10H14F2N2 — CID 118675315

IUPAC4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole
SMILESC[C@H]1CC(F)(F)CC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C10H14F2N2/c1-7-4-10(11,12)3-2-9(7)8-5-13-14-6-8/h5-7,9H,2-4H2,1H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyZBYHAVQVAWFGEB-CBAPKCEASA-N
MW200.23 g/mol
LogP2.95
Rot. Bonds1

About 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole

4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole (PubChem CID 118675315) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole
PubChem CID118675315
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole
SMILESC[C@H]1CC(F)(F)CC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C10H14F2N2/c1-7-4-10(11,12)3-2-9(7)8-5-13-14-6-8/h5-7,9H,2-4H2,1H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyZBYHAVQVAWFGEB-CBAPKCEASA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58592546
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CID 122155375
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CID 3082073
CID 3082073
CID 11240477
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CID 129678772
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CID 383859
CID 383859
CID 118220537
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CID 132239602
CID 132239602

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole?
The IUPAC name of 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole (CID 118675315) is 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole.
What is the SMILES notation for 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole?
The canonical SMILES for 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole is C[C@H]1CC(F)(F)CC[C@@H]1c1cn[nH]c1.
What is the InChIKey of 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole?
The InChIKey is ZBYHAVQVAWFGEB-CBAPKCEASA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7-4-10(11,12)3-2-9(7)8-5-13-14-6-8/h5-7,9H,2-4H2,1H3,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole?
4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-4,4-difluoro-2-methylcyclohexyl]-1H-pyrazole is sourced from PubChem (CID 118675315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).