(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine

C13H20BrN3O — CID 125490676

IUPAC(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine
SMILESBrc1cnn([C@@H]2CCC[C@@H](N[C@@H]3CCOC3)C2)c1
InChIInChI=1S/C13H20BrN3O/c14-10-7-15-17(8-10)13-3-1-2-11(6-13)16-12-4-5-18-9-12/h7-8,11-13,16H,1-6,9H2/t11-,12-,13-/m1/s1
InChIKeyFWRACMZGXKSBHP-JHJVBQTASA-N
MW314.23 g/mol
LogP2.51
Rot. Bonds3

About (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine

(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine (PubChem CID 125490676) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine
PubChem CID125490676
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine
SMILESBrc1cnn([C@@H]2CCC[C@@H](N[C@@H]3CCOC3)C2)c1
InChIInChI=1S/C13H20BrN3O/c14-10-7-15-17(8-10)13-3-1-2-11(6-13)16-12-4-5-18-9-12/h7-8,11-13,16H,1-6,9H2/t11-,12-,13-/m1/s1
InChIKeyFWRACMZGXKSBHP-JHJVBQTASA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine?
The IUPAC name of (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine (CID 125490676) is (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine?
The canonical SMILES for (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine is Brc1cnn([C@@H]2CCC[C@@H](N[C@@H]3CCOC3)C2)c1.
What is the InChIKey of (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine?
The InChIKey is FWRACMZGXKSBHP-JHJVBQTASA-N. The full InChI is InChI=1S/C13H20BrN3O/c14-10-7-15-17(8-10)13-3-1-2-11(6-13)16-12-4-5-18-9-12/h7-8,11-13,16H,1-6,9H2/t11-,12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine?
(3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine has a molecular weight of 314.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,3R)-3-(4-bromopyrazol-1-yl)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 125490676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).