N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

C11H21N3 — CID 62440976

IUPACN-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCCNCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C11H21N3/c1-6-12-7-8(2)14-11(5)9(3)10(4)13-14/h8,12H,6-7H2,1-5H3
InChIKeyTWIBDQJJDGVJAU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine

N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (PubChem CID 62440976) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
PubChem CID62440976
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
SMILESCCNCC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C11H21N3/c1-6-12-7-8(2)14-11(5)9(3)10(4)13-14/h8,12H,6-7H2,1-5H3
InChIKeyTWIBDQJJDGVJAU-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 1125228
3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine (CID 62440976) is N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is CCNCC(C)n1nc(C)c(C)c1C.
What is the InChIKey of N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is TWIBDQJJDGVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-12-7-8(2)14-11(5)9(3)10(4)13-14/h8,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine?
N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 62440976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).