N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide

C18H18N6O — CID 160764072

IUPACN-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide
SMILESCC(C)n1cc(NC(=O)C2=NCc3cc(-c4cn[nH]c4)ccc32)cn1
InChIInChI=1S/C18H18N6O/c1-11(2)24-10-15(9-22-24)23-18(25)17-16-4-3-12(5-13(16)6-19-17)14-7-20-21-8-14/h3-5,7-11H,6H2,1-2H3,(H,20,21)(H,23,25)
InChIKeyRYLKTWLGNGBBKS-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.80
Rot. Bonds4

About N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide

N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide (PubChem CID 160764072) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide
PubChem CID160764072
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide
SMILESCC(C)n1cc(NC(=O)C2=NCc3cc(-c4cn[nH]c4)ccc32)cn1
InChIInChI=1S/C18H18N6O/c1-11(2)24-10-15(9-22-24)23-18(25)17-16-4-3-12(5-13(16)6-19-17)14-7-20-21-8-14/h3-5,7-11H,6H2,1-2H3,(H,20,21)(H,23,25)
InChIKeyRYLKTWLGNGBBKS-UHFFFAOYSA-N
XLogP2.80
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide (CID 160764072) is N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide is CC(C)n1cc(NC(=O)C2=NCc3cc(-c4cn[nH]c4)ccc32)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide?
The InChIKey is RYLKTWLGNGBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11(2)24-10-15(9-22-24)23-18(25)17-16-4-3-12(5-13(16)6-19-17)14-7-20-21-8-14/h3-5,7-11H,6H2,1-2H3,(H,20,21)(H,23,25).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide?
N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)-3H-isoindole-1-carboxamide is sourced from PubChem (CID 160764072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).