2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide

C25H24N4O2 — CID 49013444

IUPAC2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
SMILESCC(OCc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H24N4O2/c1-19(31-18-20-8-4-2-5-9-20)25(30)27-16-22-17-29(23-10-6-3-7-11-23)28-24(22)21-12-14-26-15-13-21/h2-15,17,19H,16,18H2,1H3,(H,27,30)
InChIKeyVKJMYDAEUANPTD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.16
Rot. Bonds8

About 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide

2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide (PubChem CID 49013444) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
PubChem CID49013444
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
SMILESCC(OCc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H24N4O2/c1-19(31-18-20-8-4-2-5-9-20)25(30)27-16-22-17-29(23-10-6-3-7-11-23)28-24(22)21-12-14-26-15-13-21/h2-15,17,19H,16,18H2,1H3,(H,27,30)
InChIKeyVKJMYDAEUANPTD-UHFFFAOYSA-N
XLogP4.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
benzyl 4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 60604630
2-(4-nitrophenyl)sulfanyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604555
2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 119870904
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxo-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide
CID 100610825
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(3S)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 52798075
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]isoquinoline-1-carboxamide
CID 52822334
2-(4-chlorophenoxy)-2-methyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 60604754
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide (CID 49013444) is 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide is CC(OCc1ccccc1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
The InChIKey is VKJMYDAEUANPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-19(31-18-20-8-4-2-5-9-20)25(30)27-16-22-17-29(23-10-6-3-7-11-23)28-24(22)21-12-14-26-15-13-21/h2-15,17,19H,16,18H2,1H3,(H,27,30).
What are the key properties of 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide?
2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 49013444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).