N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine

C14H20N4O — CID 64800422

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCC(C)n1ccc(CNc2ccc(OC)nc2)n1
InChIInChI=1S/C14H20N4O/c1-4-11(2)18-8-7-13(17-18)10-15-12-5-6-14(19-3)16-9-12/h5-9,11,15H,4,10H2,1-3H3
InChIKeyKCWOFZXKAWVSPD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.87
Rot. Bonds6

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine (PubChem CID 64800422) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine
PubChem CID64800422
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCC(C)n1ccc(CNc2ccc(OC)nc2)n1
InChIInChI=1S/C14H20N4O/c1-4-11(2)18-8-7-13(17-18)10-15-12-5-6-14(19-3)16-9-12/h5-9,11,15H,4,10H2,1-3H3
InChIKeyKCWOFZXKAWVSPD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-chloro-4-methylaniline
CID 64801192
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 64801213
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloro-2-methoxyaniline
CID 64800625
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
CID 66411078
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,6-dichloroaniline
CID 65468826
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 114839543
N-(6-methoxy-3-pyridinyl)methanethioamide
CID 142077348
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
6-methoxy-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43663789
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine (CID 64800422) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine is CCC(C)n1ccc(CNc2ccc(OC)nc2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is KCWOFZXKAWVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-11(2)18-8-7-13(17-18)10-15-12-5-6-14(19-3)16-9-12/h5-9,11,15H,4,10H2,1-3H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 260.34 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-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 64800422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).