1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine

C17H31N3O — CID 43728958

IUPAC1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2cnn(CCOC)c2)CC1
InChIInChI=1S/C17H31N3O/c1-5-17(2,3)14-6-8-15(9-7-14)19-16-12-18-20(13-16)10-11-21-4/h12-15,19H,5-11H2,1-4H3
InChIKeyRGFSYCWAXGYAFW-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.94
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine (PubChem CID 43728958) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
PubChem CID43728958
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2cnn(CCOC)c2)CC1
InChIInChI=1S/C17H31N3O/c1-5-17(2,3)14-6-8-15(9-7-14)19-16-12-18-20(13-16)10-11-21-4/h12-15,19H,5-11H2,1-4H3
InChIKeyRGFSYCWAXGYAFW-UHFFFAOYSA-N
XLogP3.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine (CID 43728958) is 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine is CCC(C)(C)C1CCC(Nc2cnn(CCOC)c2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
The InChIKey is RGFSYCWAXGYAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-17(2,3)14-6-8-15(9-7-14)19-16-12-18-20(13-16)10-11-21-4/h12-15,19H,5-11H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine has a molecular weight of 293.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 43728958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).