1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine

C14H15N5 — CID 117386048

IUPAC1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
SMILESCc1nccn1-c1cccc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H15N5/c1-10-16-6-7-19(10)12-5-3-4-11(8-12)13-9-14(15)18(2)17-13/h3-9H,15H2,1-2H3
InChIKeyQETUYACBTFPXSS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.16
Rot. Bonds2

About 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine

1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine (PubChem CID 117386048) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
PubChem CID117386048
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
SMILESCc1nccn1-c1cccc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H15N5/c1-10-16-6-7-19(10)12-5-3-4-11(8-12)13-9-14(15)18(2)17-13/h3-9H,15H2,1-2H3
InChIKeyQETUYACBTFPXSS-UHFFFAOYSA-N
XLogP2.16
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.16
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-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine (CID 117386048) is 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine is Cc1nccn1-c1cccc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine?
The InChIKey is QETUYACBTFPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-16-6-7-19(10)12-5-3-4-11(8-12)13-9-14(15)18(2)17-13/h3-9H,15H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine?
1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117386048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).