1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine

C14H26ClN3O — CID 103027731

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCCn1nc(C)c(Cl)c1CC(CC(C)(C)OC)NC
InChIInChI=1S/C14H26ClN3O/c1-7-18-12(13(15)10(2)17-18)8-11(16-5)9-14(3,4)19-6/h11,16H,7-9H2,1-6H3
InChIKeyMOWISRQDRXJAQV-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.81
Rot. Bonds7

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 103027731) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine
PubChem CID103027731
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCCn1nc(C)c(Cl)c1CC(CC(C)(C)OC)NC
InChIInChI=1S/C14H26ClN3O/c1-7-18-12(13(15)10(2)17-18)8-11(16-5)9-14(3,4)19-6/h11,16H,7-9H2,1-6H3
InChIKeyMOWISRQDRXJAQV-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine (CID 103027731) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine is CCn1nc(C)c(Cl)c1CC(CC(C)(C)OC)NC.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is MOWISRQDRXJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-7-18-12(13(15)10(2)17-18)8-11(16-5)9-14(3,4)19-6/h11,16H,7-9H2,1-6H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 103027731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).