N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine

C18H27N3O2 — CID 19623119

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
SMILESCOc1cc(CNCc2cnn(C)c2C)ccc1OCC(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)12-23-17-7-6-15(8-18(17)22-5)9-19-10-16-11-20-21(4)14(16)3/h6-8,11,13,19H,9-10,12H2,1-5H3
InChIKeyBYTIVMOPBXZDQI-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.06
Rot. Bonds8

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine (PubChem CID 19623119) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
PubChem CID19623119
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
SMILESCOc1cc(CNCc2cnn(C)c2C)ccc1OCC(C)C
InChIInChI=1S/C18H27N3O2/c1-13(2)12-23-17-7-6-15(8-18(17)22-5)9-19-10-16-11-20-21(4)14(16)3/h6-8,11,13,19H,9-10,12H2,1-5H3
InChIKeyBYTIVMOPBXZDQI-UHFFFAOYSA-N
XLogP3.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623019
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine (CID 19623119) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine is COc1cc(CNCc2cnn(C)c2C)ccc1OCC(C)C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is BYTIVMOPBXZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)12-23-17-7-6-15(8-18(17)22-5)9-19-10-16-11-20-21(4)14(16)3/h6-8,11,13,19H,9-10,12H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 317.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 19623119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).