N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide

C20H23N4O4P — CID 25012332

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
SMILESCCOP(=O)(OCC)c1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C20H23N4O4P/c1-3-27-29(26,28-4-2)17-12-10-15(11-13-17)20(25)22-19-18(21)14-24(23-19)16-8-6-5-7-9-16/h5-14H,3-4,21H2,1-2H3,(H,22,23,25)
InChIKeyWMULNNYZIGKXCJ-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.60
Rot. Bonds8

About N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide

N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide (PubChem CID 25012332) has the molecular formula C20H23N4O4P and a molecular weight of 414.40 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
PubChem CID25012332
Molecular FormulaC20H23N4O4P
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
SMILESCCOP(=O)(OCC)c1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C20H23N4O4P/c1-3-27-29(26,28-4-2)17-12-10-15(11-13-17)20(25)22-19-18(21)14-24(23-19)16-8-6-5-7-9-16/h5-14H,3-4,21H2,1-2H3,(H,22,23,25)
InChIKeyWMULNNYZIGKXCJ-UHFFFAOYSA-N
XLogP3.60
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
2-[4-[(4-amino-1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2-(1,3-benzoxazol-2-yl)propanoic acid
CID 67406523
4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 24753674
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
N-(4-amino-1-phenylpyrazol-3-yl)-4-[fluoro-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 24765493
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
CID 71133855
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163694
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide?
The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide (CID 25012332) is N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide?
The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide is CCOP(=O)(OCC)c1ccc(C(=O)Nc2nn(-c3ccccc3)cc2N)cc1.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide?
The InChIKey is WMULNNYZIGKXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N4O4P/c1-3-27-29(26,28-4-2)17-12-10-15(11-13-17)20(25)22-19-18(21)14-24(23-19)16-8-6-5-7-9-16/h5-14H,3-4,21H2,1-2H3,(H,22,23,25).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide?
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide has a molecular weight of 414.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide is sourced from PubChem (CID 25012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).