N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine

C13H25N3O — CID 114255492

IUPACN,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1cc(OC)n(C)n1)C(CC)CC
InChIInChI=1S/C13H25N3O/c1-6-10(7-2)13(14-8-3)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3
InChIKeyCASKEROQJPGMNC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine

N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine (PubChem CID 114255492) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine
PubChem CID114255492
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1cc(OC)n(C)n1)C(CC)CC
InChIInChI=1S/C13H25N3O/c1-6-10(7-2)13(14-8-3)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3
InChIKeyCASKEROQJPGMNC-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine
CID 114255501
N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
CID 114255317
N-ethyl-1-(5-methoxy-1-methylpyrazol-3-yl)-4-methylpent-4-en-1-amine
CID 114255542
1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine
CID 114255397
N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
CID 105013814
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
CID 114255334
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
2-(butan-2-ylamino)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 114255909
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634
1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 114255322
(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine
CID 114255329

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine (CID 114255492) is N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine is CCNC(c1cc(OC)n(C)n1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is CASKEROQJPGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-10(7-2)13(14-8-3)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine?
N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 114255492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).