N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine

C17H26N4O — CID 91830724

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCn1cc(CN(Cc2cc(OC)ccn2)CC(C)C)cn1
InChIInChI=1S/C17H26N4O/c1-5-21-12-15(9-19-21)11-20(10-14(2)3)13-16-8-17(22-4)6-7-18-16/h6-9,12,14H,5,10-11,13H2,1-4H3
InChIKeyHUFWWBUQMURZHZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.96
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 91830724) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID91830724
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCn1cc(CN(Cc2cc(OC)ccn2)CC(C)C)cn1
InChIInChI=1S/C17H26N4O/c1-5-21-12-15(9-19-21)11-20(10-14(2)3)13-16-8-17(22-4)6-7-18-16/h6-9,12,14H,5,10-11,13H2,1-4H3
InChIKeyHUFWWBUQMURZHZ-UHFFFAOYSA-N
XLogP2.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (CID 91830724) is N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is CCn1cc(CN(Cc2cc(OC)ccn2)CC(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is HUFWWBUQMURZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-21-12-15(9-19-21)11-20(10-14(2)3)13-16-8-17(22-4)6-7-18-16/h6-9,12,14H,5,10-11,13H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 302.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-[(4-methoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 91830724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).