5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

C11H17N3 — CID 170244407

IUPAC5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(CC1CC1)C2
InChIInChI=1S/C11H17N3/c1-8-10-6-14(5-9-3-4-9)7-11(10)13(2)12-8/h9H,3-7H2,1-2H3
InChIKeySZXIFAKDLSRIFL-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.45
Rot. Bonds2

About 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole

5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 170244407) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID170244407
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nn(C)c2c1CN(CC1CC1)C2
InChIInChI=1S/C11H17N3/c1-8-10-6-14(5-9-3-4-9)7-11(10)13(2)12-8/h9H,3-7H2,1-2H3
InChIKeySZXIFAKDLSRIFL-UHFFFAOYSA-N
XLogP1.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 170244407) is 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is Cc1nn(C)c2c1CN(CC1CC1)C2.
What is the InChIKey of 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is SZXIFAKDLSRIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-10-6-14(5-9-3-4-9)7-11(10)13(2)12-8/h9H,3-7H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 191.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 170244407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).