N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine

C15H29N3 — CID 115712818

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCn1nc(C)c(C(C)NCCC(C)(C)C)c1C
InChIInChI=1S/C15H29N3/c1-8-18-13(4)14(12(3)17-18)11(2)16-10-9-15(5,6)7/h11,16H,8-10H2,1-7H3
InChIKeyBTRWKBICUBWEJI-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 115712818) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID115712818
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCCn1nc(C)c(C(C)NCCC(C)(C)C)c1C
InChIInChI=1S/C15H29N3/c1-8-18-13(4)14(12(3)17-18)11(2)16-10-9-15(5,6)7/h11,16H,8-10H2,1-7H3
InChIKeyBTRWKBICUBWEJI-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]hex-5-yn-1-amine
CID 103903590
tert-butyl N-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]propyl]carbamate
CID 103781144
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717464
3-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103781997
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843266
N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706428
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 115712818) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine is CCn1nc(C)c(C(C)NCCC(C)(C)C)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is BTRWKBICUBWEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-8-18-13(4)14(12(3)17-18)11(2)16-10-9-15(5,6)7/h11,16H,8-10H2,1-7H3.
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115712818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).