2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine

C14H22N4 — CID 114279094

IUPAC2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCc1cnn(CCn2ccc(C(N)C(C)C)c2)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3
InChIKeyXFHXLBJTUZVFOY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine

2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine (PubChem CID 114279094) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
PubChem CID114279094
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine
SMILESCc1cnn(CCn2ccc(C(N)C(C)C)c2)c1
InChIInChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3
InChIKeyXFHXLBJTUZVFOY-UHFFFAOYSA-N
XLogP2.35
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine (CID 114279094) is 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine is Cc1cnn(CCn2ccc(C(N)C(C)C)c2)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is XFHXLBJTUZVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)14(15)13-4-5-17(10-13)6-7-18-9-12(3)8-16-18/h4-5,8-11,14H,6-7,15H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine?
2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 114279094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).