1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole

C13H22N2 — CID 171430322

IUPAC1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole
SMILESCC(C)[C@@H]1CCC[C@H](Cn2cccn2)C1
InChIInChI=1S/C13H22N2/c1-11(2)13-6-3-5-12(9-13)10-15-8-4-7-14-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySVEZRADRHCYRDN-QWHCGFSZSA-N
MW206.33 g/mol
LogP3.35
Rot. Bonds3

About 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole

1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole (PubChem CID 171430322) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole
PubChem CID171430322
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole
SMILESCC(C)[C@@H]1CCC[C@H](Cn2cccn2)C1
InChIInChI=1S/C13H22N2/c1-11(2)13-6-3-5-12(9-13)10-15-8-4-7-14-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySVEZRADRHCYRDN-QWHCGFSZSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole?
The IUPAC name of 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole (CID 171430322) is 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole.
What is the SMILES notation for 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole?
The canonical SMILES for 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole is CC(C)[C@@H]1CCC[C@H](Cn2cccn2)C1.
What is the InChIKey of 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole?
The InChIKey is SVEZRADRHCYRDN-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)13-6-3-5-12(9-13)10-15-8-4-7-14-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole?
1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole has a molecular weight of 206.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3R)-3-propan-2-ylcyclohexyl]methyl]pyrazole is sourced from PubChem (CID 171430322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).