N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

C18H19N5O — CID 141047816

IUPACN-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)N1Cc2[nH]nc(N3C=CC=CC3)c2C1
InChIInChI=1S/C18H19N5O/c24-18(19-11-14-7-3-1-4-8-14)23-12-15-16(13-23)20-21-17(15)22-9-5-2-6-10-22/h1-9H,10-13H2,(H,19,24)(H,20,21)
InChIKeyDDFLJUURGRKMFB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds3

About N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide

N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 141047816) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID141047816
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)N1Cc2[nH]nc(N3C=CC=CC3)c2C1
InChIInChI=1S/C18H19N5O/c24-18(19-11-14-7-3-1-4-8-14)23-12-15-16(13-23)20-21-17(15)22-9-5-2-6-10-22/h1-9H,10-13H2,(H,19,24)(H,20,21)
InChIKeyDDFLJUURGRKMFB-UHFFFAOYSA-N
XLogP2.53
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 141047816) is N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is O=C(NCc1ccccc1)N1Cc2[nH]nc(N3C=CC=CC3)c2C1.
What is the InChIKey of N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is DDFLJUURGRKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(19-11-14-7-3-1-4-8-14)23-12-15-16(13-23)20-21-17(15)22-9-5-2-6-10-22/h1-9H,10-13H2,(H,19,24)(H,20,21).
What are the key properties of N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 141047816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).