N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C18H13N5O3 — CID 155161477

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N5O3/c24-18(10-5-6-14-15(7-10)26-9-25-14)21-16-8-13(22-23-16)17-19-11-3-1-2-4-12(11)20-17/h1-8H,9H2,(H,19,20)(H2,21,22,23,24)
InChIKeySNMOKOOXVKFJOB-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.93
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 155161477) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID155161477
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H13N5O3/c24-18(10-5-6-14-15(7-10)26-9-25-14)21-16-8-13(22-23-16)17-19-11-3-1-2-4-12(11)20-17/h1-8H,9H2,(H,19,20)(H2,21,22,23,24)
InChIKeySNMOKOOXVKFJOB-UHFFFAOYSA-N
XLogP2.93
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 155161477) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SNMOKOOXVKFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-18(10-5-6-14-15(7-10)26-9-25-14)21-16-8-13(22-23-16)17-19-11-3-1-2-4-12(11)20-17/h1-8H,9H2,(H,19,20)(H2,21,22,23,24).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 155161477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).