1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine

C12H13N5 — CID 117327059

IUPAC1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccc3ncn(C)c3c2)cc1N
InChIInChI=1S/C12H13N5/c1-16-7-14-9-4-3-8(5-11(9)16)10-6-12(13)17(2)15-10/h3-7H,13H2,1-2H3
InChIKeyUHROHCROQCAWTL-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.56
Rot. Bonds1

About 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine

1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine (PubChem CID 117327059) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
PubChem CID117327059
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccc3ncn(C)c3c2)cc1N
InChIInChI=1S/C12H13N5/c1-16-7-14-9-4-3-8(5-11(9)16)10-6-12(13)17(2)15-10/h3-7H,13H2,1-2H3
InChIKeyUHROHCROQCAWTL-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine (CID 117327059) is 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine is Cn1nc(-c2ccc3ncn(C)c3c2)cc1N.
What is the InChIKey of 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine?
The InChIKey is UHROHCROQCAWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-16-7-14-9-4-3-8(5-11(9)16)10-6-12(13)17(2)15-10/h3-7H,13H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine?
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine has a molecular weight of 227.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 117327059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).