N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine

C14H22N4 — CID 79604843

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCn1c(C)cc(CNCCn2cccn2)c1C
InChIInChI=1S/C14H22N4/c1-4-18-12(2)10-14(13(18)3)11-15-7-9-17-8-5-6-16-17/h5-6,8,10,15H,4,7,9,11H2,1-3H3
InChIKeyCYPJTYRRVDFWSP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.11
Rot. Bonds6

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 79604843) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID79604843
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCn1c(C)cc(CNCCn2cccn2)c1C
InChIInChI=1S/C14H22N4/c1-4-18-12(2)10-14(13(18)3)11-15-7-9-17-8-5-6-16-17/h5-6,8,10,15H,4,7,9,11H2,1-3H3
InChIKeyCYPJTYRRVDFWSP-UHFFFAOYSA-N
XLogP2.11
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005201
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 79604938
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 79604523
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 79604325
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79605019
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 79604843) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine is CCn1c(C)cc(CNCCn2cccn2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is CYPJTYRRVDFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-18-12(2)10-14(13(18)3)11-15-7-9-17-8-5-6-16-17/h5-6,8,10,15H,4,7,9,11H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 79604843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).