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

C13H20N4O — CID 97389037

IUPAC5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(CC1CCC1)C2
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)12-10-7-17(6-9-4-3-5-9)8-11(10)14-15-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyBDEUAOPORKRFMQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds3

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

5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97389037) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97389037
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(CC1CCC1)C2
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)12-10-7-17(6-9-4-3-5-9)8-11(10)14-15-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyBDEUAOPORKRFMQ-UHFFFAOYSA-N
XLogP1.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
[6-(Cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97389010
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461968
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71862019
5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746503
5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746509
N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126793751
(4,5-dimethyl-1H-pyrazol-3-yl)-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 132970437
(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 136521963
(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
CID 164629394

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97389037) is 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(CC1CCC1)C2.
What is the InChIKey of 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BDEUAOPORKRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)13(18)12-10-7-17(6-9-4-3-5-9)8-11(10)14-15-12/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97389037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).