N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H17N3O — CID 112692653

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(C)c1cc(NC(=O)C2Cc3ccccc32)n[nH]1
InChIInChI=1S/C15H17N3O/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-10-5-3-4-6-11(10)12/h3-6,8-9,12H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySWYNLWMVYZHUNE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.81
Rot. Bonds3

About N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 112692653) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID112692653
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCC(C)c1cc(NC(=O)C2Cc3ccccc32)n[nH]1
InChIInChI=1S/C15H17N3O/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-10-5-3-4-6-11(10)12/h3-6,8-9,12H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeySWYNLWMVYZHUNE-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 166230189
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
N-(2-chloropyrimidin-4-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 116798436
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104817854
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 103720486

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 112692653) is N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CC(C)c1cc(NC(=O)C2Cc3ccccc32)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is SWYNLWMVYZHUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-10-5-3-4-6-11(10)12/h3-6,8-9,12H,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 112692653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).