(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

C16H18N4O2 — CID 94796234

IUPAC(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n[nH]1
InChIInChI=1S/C16H18N4O2/c1-10(2)14-8-15(20-19-14)18-16(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-8,10-11H,1-3H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyKMNKGQGGQHMFPK-LLVKDONJSA-N
MW298.35 g/mol
LogP2.81
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 94796234) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID94796234
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n[nH]1
InChIInChI=1S/C16H18N4O2/c1-10(2)14-8-15(20-19-14)18-16(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-8,10-11H,1-3H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyKMNKGQGGQHMFPK-LLVKDONJSA-N
XLogP2.81
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816
2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78769979
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (CID 94796234) is (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is CC(C)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n[nH]1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is KMNKGQGGQHMFPK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)14-8-15(20-19-14)18-16(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-8,10-11H,1-3H3,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 94796234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).