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

C14H20N4O — CID 105109075

IUPACN-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccnc1OC
InChIInChI=1S/C14H20N4O/c1-4-15-13(11-9-17-18(5-2)10-11)12-7-6-8-16-14(12)19-3/h6-10,13,15H,4-5H2,1-3H3
InChIKeyWKKAXJBDQUHOJK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105109075) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105109075
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccnc1OC
InChIInChI=1S/C14H20N4O/c1-4-15-13(11-9-17-18(5-2)10-11)12-7-6-8-16-14(12)19-3/h6-10,13,15H,4-5H2,1-3H3
InChIKeyWKKAXJBDQUHOJK-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 115605106
N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105189806
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[(2-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146502
N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 106464806
N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine (CID 105109075) is N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cnn(CC)c1)c1cccnc1OC.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is WKKAXJBDQUHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-15-13(11-9-17-18(5-2)10-11)12-7-6-8-16-14(12)19-3/h6-10,13,15H,4-5H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105109075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).