N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine

C14H20N4O — CID 116793594

IUPACN-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cnn(C)c2)nc1
InChIInChI=1S/C14H20N4O/c1-11(2)15-6-12-4-5-13(16-7-12)10-19-14-8-17-18(3)9-14/h4-5,7-9,11,15H,6,10H2,1-3H3
InChIKeyJQAVKTDDCOLQAJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds6

About N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine

N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 116793594) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
PubChem CID116793594
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cnn(C)c2)nc1
InChIInChI=1S/C14H20N4O/c1-11(2)15-6-12-4-5-13(16-7-12)10-19-14-8-17-18(3)9-14/h4-5,7-9,11,15H,6,10H2,1-3H3
InChIKeyJQAVKTDDCOLQAJ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-3-pyridinyl]methyl]propan-2-amine
CID 83135465
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
CID 116792096
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 104796427
N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
CID 11167366

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine (CID 116793594) is N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(COc2cnn(C)c2)nc1.
What is the InChIKey of N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is JQAVKTDDCOLQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)15-6-12-4-5-13(16-7-12)10-19-14-8-17-18(3)9-14/h4-5,7-9,11,15H,6,10H2,1-3H3.
What are the key properties of N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine?
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116793594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).