1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C14H26N4 — CID 79069578

IUPAC1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1cc(C(N)C(C)(CC)N2CCCC2)cn1
InChIInChI=1S/C14H26N4/c1-4-14(3,17-8-6-7-9-17)13(15)12-10-16-18(5-2)11-12/h10-11,13H,4-9,15H2,1-3H3
InChIKeyXXHGFIUREVGJAA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069578) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069578
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1cc(C(N)C(C)(CC)N2CCCC2)cn1
InChIInChI=1S/C14H26N4/c1-4-14(3,17-8-6-7-9-17)13(15)12-10-16-18(5-2)11-12/h10-11,13H,4-9,15H2,1-3H3
InChIKeyXXHGFIUREVGJAA-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069573
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79065855
1-(1-ethylpyrazol-4-yl)-2-methoxy-2-methylbutan-1-amine
CID 116757269
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473
3-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79067191
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056047
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
2-methyl-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783424
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79069578) is 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCn1cc(C(N)C(C)(CC)N2CCCC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is XXHGFIUREVGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-14(3,17-8-6-7-9-17)13(15)12-10-16-18(5-2)11-12/h10-11,13H,4-9,15H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).