2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine

C17H31N3O — CID 114664684

IUPAC2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C17H31N3O/c1-6-9-20-16(15(21-5)11-19-20)17(3,4)13-8-7-12(2)10-14(13)18/h11-14H,6-10,18H2,1-5H3
InChIKeyJZXFBMJXEUSVAY-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.34
Rot. Bonds5

About 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine

2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 114664684) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID114664684
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C17H31N3O/c1-6-9-20-16(15(21-5)11-19-20)17(3,4)13-8-7-12(2)10-14(13)18/h11-14H,6-10,18H2,1-5H3
InChIKeyJZXFBMJXEUSVAY-UHFFFAOYSA-N
XLogP3.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine (CID 114664684) is 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine is CCCn1ncc(OC)c1C(C)(C)C1CCC(C)CC1N.
What is the InChIKey of 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is JZXFBMJXEUSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-9-20-16(15(21-5)11-19-20)17(3,4)13-8-7-12(2)10-14(13)18/h11-14H,6-10,18H2,1-5H3.
What are the key properties of 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 114664684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).