(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide

C19H20N4O2 — CID 97042298

IUPAC(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-14(25-17-6-4-3-5-7-17)19(24)21-13-16-12-18(23(2)22-16)15-8-10-20-11-9-15/h3-12,14H,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyHZAXIWDIYHNIGD-AWEZNQCLSA-N
MW336.40 g/mol
LogP2.57
Rot. Bonds6

About (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide

(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide (PubChem CID 97042298) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
PubChem CID97042298
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C19H20N4O2/c1-14(25-17-6-4-3-5-7-17)19(24)21-13-16-12-18(23(2)22-16)15-8-10-20-11-9-15/h3-12,14H,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyHZAXIWDIYHNIGD-AWEZNQCLSA-N
XLogP2.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
CID 126850962
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide (CID 97042298) is (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccncc2)n(C)n1.
What is the InChIKey of (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide?
The InChIKey is HZAXIWDIYHNIGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(25-17-6-4-3-5-7-17)19(24)21-13-16-12-18(23(2)22-16)15-8-10-20-11-9-15/h3-12,14H,13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide?
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide has a molecular weight of 336.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 97042298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).