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

C17H26N4 — CID 105160208

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(CC)nn1C
InChIInChI=1S/C17H26N4/c1-4-15-12-17(21(3)20-15)13-16(19-5-2)7-6-14-8-10-18-11-9-14/h8-12,16,19H,4-7,13H2,1-3H3
InChIKeyXZAQRPFEADHTPX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.53
Rot. Bonds8

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

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine (PubChem CID 105160208) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
PubChem CID105160208
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
SMILESCCNC(CCc1ccncc1)Cc1cc(CC)nn1C
InChIInChI=1S/C17H26N4/c1-4-15-12-17(21(3)20-15)13-16(19-5-2)7-6-14-8-10-18-11-9-14/h8-12,16,19H,4-7,13H2,1-3H3
InChIKeyXZAQRPFEADHTPX-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
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-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine (CID 105160208) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine is CCNC(CCc1ccncc1)Cc1cc(CC)nn1C.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine?
The InChIKey is XZAQRPFEADHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-15-12-17(21(3)20-15)13-16(19-5-2)7-6-14-8-10-18-11-9-14/h8-12,16,19H,4-7,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105160208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).