3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole

C11H15N3 — CID 112671869

IUPAC3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
SMILESCCc1nn(C)cc1Cn1cccc1
InChIInChI=1S/C11H15N3/c1-3-11-10(8-13(2)12-11)9-14-6-4-5-7-14/h4-8H,3,9H2,1-2H3
InChIKeyOORCWVAWLMPCJF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.83
Rot. Bonds3

About 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole

3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole (PubChem CID 112671869) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
PubChem CID112671869
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
SMILESCCc1nn(C)cc1Cn1cccc1
InChIInChI=1S/C11H15N3/c1-3-11-10(8-13(2)12-11)9-14-6-4-5-7-14/h4-8H,3,9H2,1-2H3
InChIKeyOORCWVAWLMPCJF-UHFFFAOYSA-N
XLogP1.83
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106579477
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 112670972
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
CID 112670015
6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 113404737
2-[5-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 115991383

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole?
The IUPAC name of 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole (CID 112671869) is 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole.
What is the SMILES notation for 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole?
The canonical SMILES for 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole is CCc1nn(C)cc1Cn1cccc1.
What is the InChIKey of 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole?
The InChIKey is OORCWVAWLMPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-11-10(8-13(2)12-11)9-14-6-4-5-7-14/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole?
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole has a molecular weight of 189.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole is sourced from PubChem (CID 112671869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).