N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine

C13H18N4O — CID 61375775

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnn(C)c1
InChIInChI=1S/C13H18N4O/c1-10(2)18-13-12(5-4-6-14-13)15-7-11-8-16-17(3)9-11/h4-6,8-10,15H,7H2,1-3H3
InChIKeyHWEPOLYXLUNTJL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.21
Rot. Bonds5

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

N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 61375775) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID61375775
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cnn(C)c1
InChIInChI=1S/C13H18N4O/c1-10(2)18-13-12(5-4-6-14-13)15-7-11-8-16-17(3)9-11/h4-6,8-10,15H,7H2,1-3H3
InChIKeyHWEPOLYXLUNTJL-UHFFFAOYSA-N
XLogP2.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-2-propan-2-yloxypyridin-3-amine
CID 75386232
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
3-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-yloxybenzoic acid
CID 166237731
N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 63047282
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 61375775) is N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is HWEPOLYXLUNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)18-13-12(5-4-6-14-13)15-7-11-8-16-17(3)9-11/h4-6,8-10,15H,7H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 61375775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).