N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C14H23N5 — CID 82902628

IUPACN-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cncn1C
InChIInChI=1S/C14H23N5/c1-5-16-13(14-9-15-10-18(14)4)8-12-6-7-19(17-12)11(2)3/h6-7,9-11,13,16H,5,8H2,1-4H3
InChIKeyBDFDAEXGPTZIEO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.09
Rot. Bonds6

About N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 82902628) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID82902628
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cncn1C
InChIInChI=1S/C14H23N5/c1-5-16-13(14-9-15-10-18(14)4)8-12-6-7-19(17-12)11(2)3/h6-7,9-11,13,16H,5,8H2,1-4H3
InChIKeyBDFDAEXGPTZIEO-UHFFFAOYSA-N
XLogP2.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
[1-(3-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105264621
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82922938
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 82902628) is N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)c1cncn1C.
What is the InChIKey of N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is BDFDAEXGPTZIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-16-13(14-9-15-10-18(14)4)8-12-6-7-19(17-12)11(2)3/h6-7,9-11,13,16H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82902628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).