3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine

C12H23N3O — CID 114667004

IUPAC3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCn1ncc(OC)c1C(C)(C)CCNC
InChIInChI=1S/C12H23N3O/c1-6-15-11(10(16-5)9-14-15)12(2,3)7-8-13-4/h9,13H,6-8H2,1-5H3
InChIKeyXKSSWNCDZQQRJI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.80
Rot. Bonds6

About 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine

3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 114667004) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID114667004
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCn1ncc(OC)c1C(C)(C)CCNC
InChIInChI=1S/C12H23N3O/c1-6-15-11(10(16-5)9-14-15)12(2,3)7-8-13-4/h9,13H,6-8H2,1-5H3
InChIKeyXKSSWNCDZQQRJI-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
CID 114666994
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633955
2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 114664693
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine (CID 114667004) is 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine is CCn1ncc(OC)c1C(C)(C)CCNC.
What is the InChIKey of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is XKSSWNCDZQQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-15-11(10(16-5)9-14-15)12(2,3)7-8-13-4/h9,13H,6-8H2,1-5H3.
What are the key properties of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine?
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114667004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).