5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine

C11H16N4 — CID 115735771

IUPAC5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2cc[nH]c2)c1C
InChIInChI=1S/C11H16N4/c1-3-10-8(2)11(15-14-10)13-7-9-4-5-12-6-9/h4-6,12H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyTVYAYZHVABNUSO-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.22
Rot. Bonds4

About 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine (PubChem CID 115735771) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine
PubChem CID115735771
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2cc[nH]c2)c1C
InChIInChI=1S/C11H16N4/c1-3-10-8(2)11(15-14-10)13-7-9-4-5-12-6-9/h4-6,12H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyTVYAYZHVABNUSO-UHFFFAOYSA-N
XLogP2.22
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine (CID 115735771) is 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine is CCc1[nH]nc(NCc2cc[nH]c2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine?
The InChIKey is TVYAYZHVABNUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-10-8(2)11(15-14-10)13-7-9-4-5-12-6-9/h4-6,12H,3,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine has a molecular weight of 204.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(1H-pyrrol-3-ylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115735771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).