1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine

C12H23N3O — CID 115922676

IUPAC1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
SMILESCCn1cc(NC(CCOC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-9-11(8-13-15)14-12(10(2)3)6-7-16-4/h8-10,12,14H,5-7H2,1-4H3
InChIKeyLLDXDDYJYQQCDQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.38
Rot. Bonds7

About 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine

1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine (PubChem CID 115922676) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
PubChem CID115922676
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
SMILESCCn1cc(NC(CCOC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-9-11(8-13-15)14-12(10(2)3)6-7-16-4/h8-10,12,14H,5-7H2,1-4H3
InChIKeyLLDXDDYJYQQCDQ-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
1-ethyl-N-(2-methylpentyl)pyrazol-4-amine
CID 43543330
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
[1-(1-ethylpyrazol-4-yl)-4-methoxybutyl]hydrazine
CID 105224988
N,1-diethylpyrazol-4-amine
CID 43543394
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine (CID 115922676) is 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine is CCn1cc(NC(CCOC)C(C)C)cn1.
What is the InChIKey of 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine?
The InChIKey is LLDXDDYJYQQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-15-9-11(8-13-15)14-12(10(2)3)6-7-16-4/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine?
1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine has a molecular weight of 225.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 115922676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).