N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine

C16H22ClN3O — CID 114646374

IUPACN-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H22ClN3O/c1-5-18-15(12-6-8-13(17)9-7-12)16-14(21-4)10-19-20(16)11(2)3/h6-11,15,18H,5H2,1-4H3
InChIKeyYDZHGBURAACMDS-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.82
Rot. Bonds6

About N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine

N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114646374) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
PubChem CID114646374
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H22ClN3O/c1-5-18-15(12-6-8-13(17)9-7-12)16-14(21-4)10-19-20(16)11(2)3/h6-11,15,18H,5H2,1-4H3
InChIKeyYDZHGBURAACMDS-UHFFFAOYSA-N
XLogP3.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 114654538
N-[(5-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652685
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651554
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105048264
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chlorophenyl)methyl]propan-1-amine
CID 114646362
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (CID 114646374) is N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is YDZHGBURAACMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-5-18-15(12-6-8-13(17)9-7-12)16-14(21-4)10-19-20(16)11(2)3/h6-11,15,18H,5H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 307.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114646374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).