1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine

C12H23N3O — CID 43543286

IUPAC1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
SMILESCCn1cc(NC(C)CC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-9-11(8-13-15)14-10(2)7-12(3,4)16-5/h8-10,14H,6-7H2,1-5H3
InChIKeyXBGOZGICOAROPA-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.52
Rot. Bonds6

About 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine

1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine (PubChem CID 43543286) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
PubChem CID43543286
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
SMILESCCn1cc(NC(C)CC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-6-15-9-11(8-13-15)14-10(2)7-12(3,4)16-5/h8-10,14H,6-7H2,1-5H3
InChIKeyXBGOZGICOAROPA-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
CID 115922676
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
[1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025218
N,1-diethylpyrazol-4-amine
CID 43543394
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
CID 79540648
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine (CID 43543286) is 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine is CCn1cc(NC(C)CC(C)(C)OC)cn1.
What is the InChIKey of 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine?
The InChIKey is XBGOZGICOAROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-15-9-11(8-13-15)14-10(2)7-12(3,4)16-5/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine?
1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine has a molecular weight of 225.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 43543286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).