5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

C16H26N4O — CID 97389058

IUPAC5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(CC1CCCCC1)C2
InChIInChI=1S/C16H26N4O/c1-18(2)16(21)15-13-10-20(11-14(13)19(3)17-15)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3
InChIKeyPATWCOUJOUKSEL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds3

About 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide

5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97389058) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97389058
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CN(CC1CCCCC1)C2
InChIInChI=1S/C16H26N4O/c1-18(2)16(21)15-13-10-20(11-14(13)19(3)17-15)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3
InChIKeyPATWCOUJOUKSEL-UHFFFAOYSA-N
XLogP2.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97389058) is 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CN(CC1CCCCC1)C2.
What is the InChIKey of 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is PATWCOUJOUKSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18(2)16(21)15-13-10-20(11-14(13)19(3)17-15)9-12-7-5-4-6-8-12/h12H,4-11H2,1-3H3.
What are the key properties of 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-N,N,1-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97389058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).