N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide

C18H15N5O2 — CID 156860279

IUPACN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C18H15N5O2/c1-2-17(24)22-14-7-8-16(20-10-14)23-18(25)15(11-21-23)13-5-3-12(9-19)4-6-13/h3-8,10-11,21H,2H2,1H3,(H,22,24)
InChIKeyINSLVEMAACDTAW-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.45
Rot. Bonds4

About N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide

N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide (PubChem CID 156860279) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide
PubChem CID156860279
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C18H15N5O2/c1-2-17(24)22-14-7-8-16(20-10-14)23-18(25)15(11-21-23)13-5-3-12(9-19)4-6-13/h3-8,10-11,21H,2H2,1H3,(H,22,24)
InChIKeyINSLVEMAACDTAW-UHFFFAOYSA-N
XLogP2.45
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide (CID 156860279) is N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1.
What is the InChIKey of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide?
The InChIKey is INSLVEMAACDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-2-17(24)22-14-7-8-16(20-10-14)23-18(25)15(11-21-23)13-5-3-12(9-19)4-6-13/h3-8,10-11,21H,2H2,1H3,(H,22,24).
What are the key properties of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide?
N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide has a molecular weight of 333.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 156860279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).