[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone

C20H23N5O — CID 97405319

IUPAC[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1
InChIInChI=1S/C20H23N5O/c1-3-4-15-5-7-16(8-6-15)20(26)25-11-17-18(12-24-10-9-21-14-24)22-23(2)19(17)13-25/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyMHIMDUJRSDPNAG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.77
Rot. Bonds5

About [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone

[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone (PubChem CID 97405319) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone
PubChem CID97405319
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1
InChIInChI=1S/C20H23N5O/c1-3-4-15-5-7-16(8-6-15)20(26)25-11-17-18(12-24-10-9-21-14-24)22-23(2)19(17)13-25/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyMHIMDUJRSDPNAG-UHFFFAOYSA-N
XLogP2.77
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone (CID 97405319) is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone?
The InChIKey is MHIMDUJRSDPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-4-15-5-7-16(8-6-15)20(26)25-11-17-18(12-24-10-9-21-14-24)22-23(2)19(17)13-25/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone?
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 97405319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).