3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine

C13H23N3O — CID 115069001

IUPAC3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-17-13-11(6-5-9-14)10-15-16(13)12-7-3-2-4-8-12/h10,12H,2-9,14H2,1H3
InChIKeyRSFZNXJYIFNLTE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.29
Rot. Bonds5

About 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine

3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine (PubChem CID 115069001) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
PubChem CID115069001
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-17-13-11(6-5-9-14)10-15-16(13)12-7-3-2-4-8-12/h10,12H,2-9,14H2,1H3
InChIKeyRSFZNXJYIFNLTE-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine (CID 115069001) is 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine is COc1c(CCCN)cnn1C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine?
The InChIKey is RSFZNXJYIFNLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-13-11(6-5-9-14)10-15-16(13)12-7-3-2-4-8-12/h10,12H,2-9,14H2,1H3.
What are the key properties of 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine?
3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115069001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).