5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole

C19H20N6 — CID 135914467

IUPAC5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole
SMILESC[C@@H](C1CC1)n1ncc2[nH]c(-c3cncn3Cc3ccccc3)nc21
InChIInChI=1S/C19H20N6/c1-13(15-7-8-15)25-19-16(9-21-25)22-18(23-19)17-10-20-12-24(17)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,15H,7-8,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyWWLUGJOJDYODGZ-ZDUSSCGKSA-N
MW332.41 g/mol
LogP3.64
Rot. Bonds5

About 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole

5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 135914467) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole
PubChem CID135914467
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole
SMILESC[C@@H](C1CC1)n1ncc2[nH]c(-c3cncn3Cc3ccccc3)nc21
InChIInChI=1S/C19H20N6/c1-13(15-7-8-15)25-19-16(9-21-25)22-18(23-19)17-10-20-12-24(17)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,15H,7-8,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyWWLUGJOJDYODGZ-ZDUSSCGKSA-N
XLogP3.64
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole (CID 135914467) is 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole is C[C@@H](C1CC1)n1ncc2[nH]c(-c3cncn3Cc3ccccc3)nc21.
What is the InChIKey of 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is WWLUGJOJDYODGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N6/c1-13(15-7-8-15)25-19-16(9-21-25)22-18(23-19)17-10-20-12-24(17)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,15H,7-8,11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole?
5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 332.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzylimidazol-4-yl)-1-[(1S)-1-cyclopropylethyl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135914467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).