N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C18H16N8OS — CID 59332296

IUPACN-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnn(-c2ccccc2NC(=O)c2csc(N3Cc4cn[nH]c4C3)n2)c1
InChIInChI=1S/C18H16N8OS/c19-12-6-21-26(8-12)16-4-2-1-3-13(16)22-17(27)15-10-28-18(23-15)25-7-11-5-20-24-14(11)9-25/h1-6,8,10H,7,9,19H2,(H,20,24)(H,22,27)
InChIKeyYEHPXMRYFQATGF-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59332296) has the molecular formula C18H16N8OS and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID59332296
Molecular FormulaC18H16N8OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNc1cnn(-c2ccccc2NC(=O)c2csc(N3Cc4cn[nH]c4C3)n2)c1
InChIInChI=1S/C18H16N8OS/c19-12-6-21-26(8-12)16-4-2-1-3-13(16)22-17(27)15-10-28-18(23-15)25-7-11-5-20-24-14(11)9-25/h1-6,8,10H,7,9,19H2,(H,20,24)(H,22,27)
InChIKeyYEHPXMRYFQATGF-UHFFFAOYSA-N
XLogP2.41
TPSA117.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 59332296) is N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide is Nc1cnn(-c2ccccc2NC(=O)c2csc(N3Cc4cn[nH]c4C3)n2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YEHPXMRYFQATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8OS/c19-12-6-21-26(8-12)16-4-2-1-3-13(16)22-17(27)15-10-28-18(23-15)25-7-11-5-20-24-14(11)9-25/h1-6,8,10H,7,9,19H2,(H,20,24)(H,22,27).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)phenyl]-2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).