N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine

C16H24N4O — CID 114651554

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H24N4O/c1-6-17-15(13-9-7-8-12(4)19-13)16-14(21-5)10-18-20(16)11(2)3/h7-11,15,17H,6H2,1-5H3
InChIKeyFQRIVEVZYVJFGK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.87
Rot. Bonds6

About N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 114651554) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID114651554
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)n1)c1c(OC)cnn1C(C)C
InChIInChI=1S/C16H24N4O/c1-6-17-15(13-9-7-8-12(4)19-13)16-14(21-5)10-18-20(16)11(2)3/h7-11,15,17H,6H2,1-5H3
InChIKeyFQRIVEVZYVJFGK-UHFFFAOYSA-N
XLogP2.87
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 114654538
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 114648090
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105186864
N-[(4-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114646374
N-[(5-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652685
[(4-methoxy-1-propylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219117
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387
N-[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651558
N-[(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105048112
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105048344
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine (CID 114651554) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1cccc(C)n1)c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is FQRIVEVZYVJFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-17-15(13-9-7-8-12(4)19-13)16-14(21-5)10-18-20(16)11(2)3/h7-11,15,17H,6H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114651554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).