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

C15H19N5O — CID 150030756

IUPACN-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCNC(=O)N1Cc2[nH]nc(Nc3ccc(C)cc3)c2C1
InChIInChI=1S/C15H19N5O/c1-3-16-15(21)20-8-12-13(9-20)18-19-14(12)17-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21)(H2,17,18,19)
InChIKeyVIEYKRXOVNTDNZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.51
Rot. Bonds3

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

N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 150030756) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID150030756
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCNC(=O)N1Cc2[nH]nc(Nc3ccc(C)cc3)c2C1
InChIInChI=1S/C15H19N5O/c1-3-16-15(21)20-8-12-13(9-20)18-19-14(12)17-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21)(H2,17,18,19)
InChIKeyVIEYKRXOVNTDNZ-UHFFFAOYSA-N
XLogP2.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034
N-butyl-3-{2-[4-(pyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 11361885
N-phenyl-3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645988
3-(2-Phenylacetamido)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
CID 23645989
1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330957
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330958
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330965
N-butyl-3-[2-(2-fluorophenyl)acetamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645990
N-butyl-3-{2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamido}-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
CID 23645992
CID 5330959
CID 5330959
CID 5330960
CID 5330960

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 150030756) is N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CCNC(=O)N1Cc2[nH]nc(Nc3ccc(C)cc3)c2C1.
What is the InChIKey of N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is VIEYKRXOVNTDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-16-15(21)20-8-12-13(9-20)18-19-14(12)17-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,21)(H2,17,18,19).
What are the key properties of N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylanilino)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 150030756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).