3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole

C13H14N4 — CID 102274562

IUPAC3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole
SMILESCn1cccc1-c1cc(-c2cccn2C)[nH]n1
InChIInChI=1S/C13H14N4/c1-16-7-3-5-12(16)10-9-11(15-14-10)13-6-4-8-17(13)2/h3-9H,1-2H3,(H,14,15)
InChIKeyRFGFBRBQSJWTNA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.42
Rot. Bonds2

About 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole

3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole (PubChem CID 102274562) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole
PubChem CID102274562
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole
SMILESCn1cccc1-c1cc(-c2cccn2C)[nH]n1
InChIInChI=1S/C13H14N4/c1-16-7-3-5-12(16)10-9-11(15-14-10)13-6-4-8-17(13)2/h3-9H,1-2H3,(H,14,15)
InChIKeyRFGFBRBQSJWTNA-UHFFFAOYSA-N
XLogP2.42
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
3-(Pyridine-2-yl)-5-trifluoromethylpyrazole
CID 611600
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229
3-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 3544553
3-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 6484152
3,5-Di(2-pyridyl)pyrazole
CID 613762
3-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole
CID 2742128
3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 1474504
5-fluoro-2-(1H-pyrazol-3-yl)pyridine
CID 67991692
3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 59376304
3-[4-(5-Pyridin-3-yl-1,2-dihydropyrazol-3-ylidene)pyrazol-3-yl]pyridine
CID 340684

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole?
The IUPAC name of 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole (CID 102274562) is 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole is Cn1cccc1-c1cc(-c2cccn2C)[nH]n1.
What is the InChIKey of 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole?
The InChIKey is RFGFBRBQSJWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-16-7-3-5-12(16)10-9-11(15-14-10)13-6-4-8-17(13)2/h3-9H,1-2H3,(H,14,15).
What are the key properties of 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole?
3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole has a molecular weight of 226.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole is sourced from PubChem (CID 102274562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).