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

C14H14N4 — CID 13409751

IUPAC(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESNCc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H14N4/c15-10-12-11-16-18(13-6-2-1-3-7-13)14(12)17-8-4-5-9-17/h1-9,11H,10,15H2
InChIKeyCBOZFDRDDSJOPV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.12
Rot. Bonds3

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

(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (PubChem CID 13409751) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
PubChem CID13409751
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESNCc1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H14N4/c15-10-12-11-16-18(13-6-2-1-3-7-13)14(12)17-8-4-5-9-17/h1-9,11H,10,15H2
InChIKeyCBOZFDRDDSJOPV-UHFFFAOYSA-N
XLogP2.12
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The IUPAC name of (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (CID 13409751) is (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is NCc1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The InChIKey is CBOZFDRDDSJOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-10-12-11-16-18(13-6-2-1-3-7-13)14(12)17-8-4-5-9-17/h1-9,11H,10,15H2.
What are the key properties of (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 13409751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).