N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine

C14H25N3O — CID 55044598

IUPACN,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine
SMILESCNc1c(COC2CCCCC2C)c(C)nn1C
InChIInChI=1S/C14H25N3O/c1-10-7-5-6-8-13(10)18-9-12-11(2)16-17(4)14(12)15-3/h10,13,15H,5-9H2,1-4H3
InChIKeyBUNIVLPGLWMPJJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.87
Rot. Bonds4

About N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine

N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine (PubChem CID 55044598) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine
PubChem CID55044598
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine
SMILESCNc1c(COC2CCCCC2C)c(C)nn1C
InChIInChI=1S/C14H25N3O/c1-10-7-5-6-8-13(10)18-9-12-11(2)16-17(4)14(12)15-3/h10,13,15H,5-9H2,1-4H3
InChIKeyBUNIVLPGLWMPJJ-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine (CID 55044598) is N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine is CNc1c(COC2CCCCC2C)c(C)nn1C.
What is the InChIKey of N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine?
The InChIKey is BUNIVLPGLWMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-7-5-6-8-13(10)18-9-12-11(2)16-17(4)14(12)15-3/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine?
N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine has a molecular weight of 251.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine is sourced from PubChem (CID 55044598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).