N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine

C17H23N3O — CID 6625305

IUPACN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-21-16-10-6-5-9-15(16)17-13(12-19-20-17)11-18-14-7-3-2-4-8-14/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyOOECMNVKEANWJW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds5

About N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine

N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine (PubChem CID 6625305) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
PubChem CID6625305
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
SMILESCOc1ccccc1-c1[nH]ncc1CNC1CCCCC1
InChIInChI=1S/C17H23N3O/c1-21-16-10-6-5-9-15(16)17-13(12-19-20-17)11-18-14-7-3-2-4-8-14/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyOOECMNVKEANWJW-UHFFFAOYSA-N
XLogP3.51
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine (CID 6625305) is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine is COc1ccccc1-c1[nH]ncc1CNC1CCCCC1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine?
The InChIKey is OOECMNVKEANWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-10-6-5-9-15(16)17-13(12-19-20-17)11-18-14-7-3-2-4-8-14/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine?
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 6625305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).