7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole

C13H10FN5 — CID 73426638

IUPAC7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole
SMILESCn1nccc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C13H10FN5/c1-18-12(4-5-16-18)19-10-3-2-8(14)6-9(10)13-11(19)7-15-17-13/h2-7H,1H3,(H,15,17)
InChIKeyCQPVFNFMSYBFNM-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.38
Rot. Bonds1

About 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole

7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole (PubChem CID 73426638) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole.

Molecular Properties

Compound Name7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole
PubChem CID73426638
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole
SMILESCn1nccc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C13H10FN5/c1-18-12(4-5-16-18)19-10-3-2-8(14)6-9(10)13-11(19)7-15-17-13/h2-7H,1H3,(H,15,17)
InChIKeyCQPVFNFMSYBFNM-UHFFFAOYSA-N
XLogP2.38
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole?
The IUPAC name of 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole (CID 73426638) is 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole.
What is the SMILES notation for 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole?
The canonical SMILES for 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole is Cn1nccc1-n1c2ccc(F)cc2c2[nH]ncc21.
What is the InChIKey of 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole?
The InChIKey is CQPVFNFMSYBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c1-18-12(4-5-16-18)19-10-3-2-8(14)6-9(10)13-11(19)7-15-17-13/h2-7H,1H3,(H,15,17).
What are the key properties of 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole?
7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole has a molecular weight of 255.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-methylpyrazol-3-yl)-1H-pyrazolo[4,5-b]indole is sourced from PubChem (CID 73426638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).