N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide

C17H18N6O2 — CID 5330962

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-n2cn[nH]c2=O)cc1
InChIInChI=1S/C17H18N6O2/c1-10(16(24)19-15-8-14(20-21-15)12-2-3-12)11-4-6-13(7-5-11)23-9-18-22-17(23)25/h4-10,12H,2-3H2,1H3,(H,22,25)(H2,19,20,21,24)
InChIKeyDUXWDMGSXRPDFV-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.90
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide (PubChem CID 5330962) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide
PubChem CID5330962
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-n2cn[nH]c2=O)cc1
InChIInChI=1S/C17H18N6O2/c1-10(16(24)19-15-8-14(20-21-15)12-2-3-12)11-4-6-13(7-5-11)23-9-18-22-17(23)25/h4-10,12H,2-3H2,1H3,(H,22,25)(H2,19,20,21,24)
InChIKeyDUXWDMGSXRPDFV-UHFFFAOYSA-N
XLogP1.90
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide (CID 5330962) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(-n2cn[nH]c2=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide?
The InChIKey is DUXWDMGSXRPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10(16(24)19-15-8-14(20-21-15)12-2-3-12)11-4-6-13(7-5-11)23-9-18-22-17(23)25/h4-10,12H,2-3H2,1H3,(H,22,25)(H2,19,20,21,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 5330962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).