3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C15H18N6 — CID 97405313

IUPAC3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCn1nc(Cn2ccnc2)c2c1CN(Cc1ccc[nH]1)C2
InChIInChI=1S/C15H18N6/c1-19-15-10-21(7-12-3-2-4-17-12)8-13(15)14(18-19)9-20-6-5-16-11-20/h2-6,11,17H,7-10H2,1H3
InChIKeySGWVTHFAGWBYOD-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.51
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 97405313) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID97405313
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCn1nc(Cn2ccnc2)c2c1CN(Cc1ccc[nH]1)C2
InChIInChI=1S/C15H18N6/c1-19-15-10-21(7-12-3-2-4-17-12)8-13(15)14(18-19)9-20-6-5-16-11-20/h2-6,11,17H,7-10H2,1H3
InChIKeySGWVTHFAGWBYOD-UHFFFAOYSA-N
XLogP1.51
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 97405313) is 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is Cn1nc(Cn2ccnc2)c2c1CN(Cc1ccc[nH]1)C2.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is SGWVTHFAGWBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-19-15-10-21(7-12-3-2-4-17-12)8-13(15)14(18-19)9-20-6-5-16-11-20/h2-6,11,17H,7-10H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 282.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 97405313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).