N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine

C13H21N5 — CID 82903321

IUPACN-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2cncn2C)cn1
InChIInChI=1S/C13H21N5/c1-4-6-18-9-11(7-16-18)13(15-5-2)12-8-14-10-17(12)3/h7-10,13,15H,4-6H2,1-3H3
InChIKeyAVIOWFFQPUPMCO-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.73
Rot. Bonds6

About N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine

N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 82903321) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID82903321
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2cncn2C)cn1
InChIInChI=1S/C13H21N5/c1-4-6-18-9-11(7-16-18)13(15-5-2)12-8-14-10-17(12)3/h7-10,13,15H,4-6H2,1-3H3
InChIKeyAVIOWFFQPUPMCO-UHFFFAOYSA-N
XLogP1.73
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105264613
(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 66118416
N-[(1-propylpyrazol-4-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 115807097
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 82901871
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 82902463
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012
N-[(3-ethyl-1-methylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104032
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine (CID 82903321) is N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(C(NCC)c2cncn2C)cn1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AVIOWFFQPUPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-6-18-9-11(7-16-18)13(15-5-2)12-8-14-10-17(12)3/h7-10,13,15H,4-6H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 82903321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).