N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine

C12H23N3O — CID 114652183

IUPACN-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCn1ncc(OC)c1CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-6-7-15-10(8-13-12(2,3)4)11(16-5)9-14-15/h9,13H,6-8H2,1-5H3
InChIKeyKUXNMLQAGNXHAZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.19
Rot. Bonds5

About N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 114652183) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID114652183
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCn1ncc(OC)c1CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-6-7-15-10(8-13-12(2,3)4)11(16-5)9-14-15/h9,13H,6-8H2,1-5H3
InChIKeyKUXNMLQAGNXHAZ-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
CID 114662451
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
CID 114652111
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutyl]hydrazine
CID 114282170

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine (CID 114652183) is N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine is CCCn1ncc(OC)c1CNC(C)(C)C.
What is the InChIKey of N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is KUXNMLQAGNXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-7-15-10(8-13-12(2,3)4)11(16-5)9-14-15/h9,13H,6-8H2,1-5H3.
What are the key properties of N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114652183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).