N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine

C10H19N3O — CID 114652111

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
SMILESCCn1ncc(OC)c1CNC(C)C
InChIInChI=1S/C10H19N3O/c1-5-13-9(6-11-8(2)3)10(14-4)7-12-13/h7-8,11H,5-6H2,1-4H3
InChIKeyIGCKTDQOXUMLGD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.41
Rot. Bonds5

About N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine

N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine (PubChem CID 114652111) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
PubChem CID114652111
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
SMILESCCn1ncc(OC)c1CNC(C)C
InChIInChI=1S/C10H19N3O/c1-5-13-9(6-11-8(2)3)10(14-4)7-12-13/h7-8,11H,5-6H2,1-4H3
InChIKeyIGCKTDQOXUMLGD-UHFFFAOYSA-N
XLogP1.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylpentan-3-amine
CID 114664255
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
CID 114664174
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
3-(4-methoxy-1-propylpyrazol-5-yl)-N-propan-2-ylbutan-1-amine
CID 114666746
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652068

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine (CID 114652111) is N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine is CCn1ncc(OC)c1CNC(C)C.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine?
The InChIKey is IGCKTDQOXUMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-13-9(6-11-8(2)3)10(14-4)7-12-13/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 114652111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).