N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine

C11H21N3O2 — CID 107462393

IUPACN-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)C(OC)OC
InChIInChI=1S/C11H21N3O2/c1-6-9-10(7-14(3)13-9)12-8(2)11(15-4)16-5/h7-8,11-12H,6H2,1-5H3
InChIKeyCOETTZIFLWUSIJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.40
Rot. Bonds6

About N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine

N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 107462393) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID107462393
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)C(OC)OC
InChIInChI=1S/C11H21N3O2/c1-6-9-10(7-14(3)13-9)12-8(2)11(15-4)16-5/h7-8,11-12H,6H2,1-5H3
InChIKeyCOETTZIFLWUSIJ-UHFFFAOYSA-N
XLogP1.40
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 139018917
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
CID 107462723
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 107462393) is N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is COETTZIFLWUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-9-10(7-14(3)13-9)12-8(2)11(15-4)16-5/h7-8,11-12H,6H2,1-5H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 107462393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).