N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

C20H19N5O — CID 139426258

IUPACN-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCC(C)(C#N)n1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1
InChIInChI=1S/C20H19N5O/c1-20(2,14-21)25-13-17(12-23-25)16-8-9-18(22-11-16)24-19(26)10-15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,22,24,26)
InChIKeyVDPWFJRBMOXBRG-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.38
Rot. Bonds5

About N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide

N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 139426258) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID139426258
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCC(C)(C#N)n1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1
InChIInChI=1S/C20H19N5O/c1-20(2,14-21)25-13-17(12-23-25)16-8-9-18(22-11-16)24-19(26)10-15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,22,24,26)
InChIKeyVDPWFJRBMOXBRG-UHFFFAOYSA-N
XLogP3.38
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 139426258) is N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is CC(C)(C#N)n1cc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cn1.
What is the InChIKey of N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is VDPWFJRBMOXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-20(2,14-21)25-13-17(12-23-25)16-8-9-18(22-11-16)24-19(26)10-15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,22,24,26).
What are the key properties of N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide?
N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 345.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 139426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).