1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine

C19H29N3O2 — CID 19625194

IUPAC1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
SMILESCCn1ccc(C(C)NCc2ccc(OCC(C)C)c(OC)c2)n1
InChIInChI=1S/C19H29N3O2/c1-6-22-10-9-17(21-22)15(4)20-12-16-7-8-18(19(11-16)23-5)24-13-14(2)3/h7-11,14-15,20H,6,12-13H2,1-5H3
InChIKeyYUTSBIOKTACONQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.80
Rot. Bonds9

About 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine

1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine (PubChem CID 19625194) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
PubChem CID19625194
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
SMILESCCn1ccc(C(C)NCc2ccc(OCC(C)C)c(OC)c2)n1
InChIInChI=1S/C19H29N3O2/c1-6-22-10-9-17(21-22)15(4)20-12-16-7-8-18(19(11-16)23-5)24-13-14(2)3/h7-11,14-15,20H,6,12-13H2,1-5H3
InChIKeyYUTSBIOKTACONQ-UHFFFAOYSA-N
XLogP3.80
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623019
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455896
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697749
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
CID 110878918
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
CID 19623119
(2S)-1-(diethylamino)-3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 25482880

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine (CID 19625194) is 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine is CCn1ccc(C(C)NCc2ccc(OCC(C)C)c(OC)c2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine?
The InChIKey is YUTSBIOKTACONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-6-22-10-9-17(21-22)15(4)20-12-16-7-8-18(19(11-16)23-5)24-13-14(2)3/h7-11,14-15,20H,6,12-13H2,1-5H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine?
1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine has a molecular weight of 331.46 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 19625194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).