5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole

C10H13N3 — CID 164649717

IUPAC5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
SMILESCc1cn(Cc2ccn[nH]2)cc1C
InChIInChI=1S/C10H13N3/c1-8-5-13(6-9(8)2)7-10-3-4-11-12-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyCAPZXEQGUNRFCG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds2

About 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole

5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole (PubChem CID 164649717) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
PubChem CID164649717
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole
SMILESCc1cn(Cc2ccn[nH]2)cc1C
InChIInChI=1S/C10H13N3/c1-8-5-13(6-9(8)2)7-10-3-4-11-12-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyCAPZXEQGUNRFCG-UHFFFAOYSA-N
XLogP1.88
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole (CID 164649717) is 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole is Cc1cn(Cc2ccn[nH]2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole?
The InChIKey is CAPZXEQGUNRFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-5-13(6-9(8)2)7-10-3-4-11-12-10/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole?
5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole has a molecular weight of 175.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 164649717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).