1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole

C14H13N3 — CID 63811432

IUPAC1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESc1ccc(-n2ccc(Cn3cccc3)n2)cc1
InChIInChI=1S/C14H13N3/c1-2-6-14(7-3-1)17-11-8-13(15-17)12-16-9-4-5-10-16/h1-11H,12H2
InChIKeyFMMOEMLEOAKMTG-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.72
Rot. Bonds3

About 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole

1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole (PubChem CID 63811432) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
PubChem CID63811432
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESc1ccc(-n2ccc(Cn3cccc3)n2)cc1
InChIInChI=1S/C14H13N3/c1-2-6-14(7-3-1)17-11-8-13(15-17)12-16-9-4-5-10-16/h1-11H,12H2
InChIKeyFMMOEMLEOAKMTG-UHFFFAOYSA-N
XLogP2.72
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-phenylpyrazol-3-yl)methyl]pyrrol-3-yl]methanol
CID 66398924
2-(1-phenylpyrazol-3-yl)ethanamine
CID 47003016
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
2-(1-phenylpyrazol-3-yl)acetaldehyde
CID 86021167
2-[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 62887635
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
1-[(1-phenylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 146130022
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
CID 75431738
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole?
The IUPAC name of 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole (CID 63811432) is 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole.
What is the SMILES notation for 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole?
The canonical SMILES for 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole is c1ccc(-n2ccc(Cn3cccc3)n2)cc1.
What is the InChIKey of 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole?
The InChIKey is FMMOEMLEOAKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-6-14(7-3-1)17-11-8-13(15-17)12-16-9-4-5-10-16/h1-11H,12H2.
What are the key properties of 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole?
1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole has a molecular weight of 223.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole is sourced from PubChem (CID 63811432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).