(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine

C15H16N4 — CID 45106360

IUPAC(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1CN
InChIInChI=1S/C15H16N4/c1-12-14(11-16)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-10H,11,16H2,1H3
InChIKeyYZLGBXPIZUOBBD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.43
Rot. Bonds3

About (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine

(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (PubChem CID 45106360) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
PubChem CID45106360
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1CN
InChIInChI=1S/C15H16N4/c1-12-14(11-16)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-10H,11,16H2,1H3
InChIKeyYZLGBXPIZUOBBD-UHFFFAOYSA-N
XLogP2.43
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The IUPAC name of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (CID 45106360) is (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is Cc1nn(-c2ccccc2)c(-n2cccc2)c1CN.
What is the InChIKey of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The InChIKey is YZLGBXPIZUOBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-12-14(11-16)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-10H,11,16H2,1H3.
What are the key properties of (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 45106360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).