5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C15H24N4O — CID 97461968

IUPAC5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(CC1CCCCC1)C2
InChIInChI=1S/C15H24N4O/c1-18(2)15(20)14-12-9-19(10-13(12)16-17-14)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeySJSRTEQXFVJHKB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds3

About 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97461968) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97461968
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(CC1CCCCC1)C2
InChIInChI=1S/C15H24N4O/c1-18(2)15(20)14-12-9-19(10-13(12)16-17-14)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeySJSRTEQXFVJHKB-UHFFFAOYSA-N
XLogP2.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97461968) is 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(CC1CCCCC1)C2.
What is the InChIKey of 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is SJSRTEQXFVJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)15(20)14-12-9-19(10-13(12)16-17-14)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97461968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).