N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine

C13H25N3 — CID 115858314

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
SMILESCCNC(c1ccnn1CC)C(C)C(C)C
InChIInChI=1S/C13H25N3/c1-6-14-13(11(5)10(3)4)12-8-9-15-16(12)7-2/h8-11,13-14H,6-7H2,1-5H3
InChIKeyKQQSTSCIFGLLCI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine

N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine (PubChem CID 115858314) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
PubChem CID115858314
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
SMILESCCNC(c1ccnn1CC)C(C)C(C)C
InChIInChI=1S/C13H25N3/c1-6-14-13(11(5)10(3)4)12-8-9-15-16(12)7-2/h8-11,13-14H,6-7H2,1-5H3
InChIKeyKQQSTSCIFGLLCI-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutyl]hydrazine
CID 105307274
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-ethyl-2-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 116720430
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
[2-ethyl-1-(2-ethylpyrazol-3-yl)butyl]hydrazine
CID 105307111
3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
CID 81016747
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine (CID 115858314) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine is CCNC(c1ccnn1CC)C(C)C(C)C.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is KQQSTSCIFGLLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-14-13(11(5)10(3)4)12-8-9-15-16(12)7-2/h8-11,13-14H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115858314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).