1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

C16H24N4 — CID 105158653

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(C)nn1C
InChIInChI=1S/C16H24N4/c1-4-18-15(6-5-14-7-9-17-10-8-14)12-16-11-13(2)19-20(16)3/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyWPKBGUMNGMHRQY-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.28
Rot. Bonds7

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105158653) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
PubChem CID105158653
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(C)nn1C
InChIInChI=1S/C16H24N4/c1-4-18-15(6-5-14-7-9-17-10-8-14)12-16-11-13(2)19-20(16)3/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyWPKBGUMNGMHRQY-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105158512
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
[1-(2,5-dimethylpyrazol-3-yl)-4-(2-methylphenyl)butan-2-yl]hydrazine
CID 105315719
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine (CID 105158653) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is CCNC(CCc1ccncc1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is WPKBGUMNGMHRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-18-15(6-5-14-7-9-17-10-8-14)12-16-11-13(2)19-20(16)3/h7-11,15,18H,4-6,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105158653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).