(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide

C19H17N5O2 — CID 95330972

IUPAC(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide
SMILESC[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2cccnc2)c1
InChIInChI=1S/C19H17N5O2/c1-14(26-18-7-3-2-6-16(18)9-20)19(25)23-17-11-22-24(13-17)12-15-5-4-8-21-10-15/h2-8,10-11,13-14H,12H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZLZLBXIKSLYPNZ-CQSZACIVSA-N
MW347.38 g/mol
LogP2.60
Rot. Bonds6

About (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide

(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 95330972) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID95330972
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide
SMILESC[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2cccnc2)c1
InChIInChI=1S/C19H17N5O2/c1-14(26-18-7-3-2-6-16(18)9-20)19(25)23-17-11-22-24(13-17)12-15-5-4-8-21-10-15/h2-8,10-11,13-14H,12H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZLZLBXIKSLYPNZ-CQSZACIVSA-N
XLogP2.60
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
[1-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 3845813
2-(2-cyanophenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55881119
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
(2S)-N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 95042307
2-(2-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 2977750
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide (CID 95330972) is (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide is C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(Cc2cccnc2)c1.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is ZLZLBXIKSLYPNZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-14(26-18-7-3-2-6-16(18)9-20)19(25)23-17-11-22-24(13-17)12-15-5-4-8-21-10-15/h2-8,10-11,13-14H,12H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide?
(2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanophenoxy)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 95330972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).