4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine

C11H10FN5 — CID 112741020

IUPAC4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESCn1c(-c2cn[nH]c2N)nc2cccc(F)c21
InChIInChI=1S/C11H10FN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16)
InChIKeyFMSZOLDOQUGKCM-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.68
Rot. Bonds1

About 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine

4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 112741020) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
PubChem CID112741020
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESCn1c(-c2cn[nH]c2N)nc2cccc(F)c21
InChIInChI=1S/C11H10FN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16)
InChIKeyFMSZOLDOQUGKCM-UHFFFAOYSA-N
XLogP1.68
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine (CID 112741020) is 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine is Cn1c(-c2cn[nH]c2N)nc2cccc(F)c21.
What is the InChIKey of 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is FMSZOLDOQUGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c1-17-9-7(12)3-2-4-8(9)15-11(17)6-5-14-16-10(6)13/h2-5H,1H3,(H3,13,14,16).
What are the key properties of 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine?
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 231.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 112741020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).