2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen

C18H19F2N5O — CID 144529831

IUPAC2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccc(F)cc2F)c1)c1ccccc1N.[H][H].[H][H]
InChIInChI=1S/C18H15F2N5O.2H2/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-23-25)24-18(26)17(22)14-3-1-2-4-16(14)21;;/h1-8,10,22H,9,21H2,(H,24,26);2*1H/b22-17-;;
InChIKeyKSFUWRNPIAVVBI-BBFBTWSBSA-N
MW359.38 g/mol
LogP3.29
Rot. Bonds5

About 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen

2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen (PubChem CID 144529831) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
PubChem CID144529831
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccc(F)cc2F)c1)c1ccccc1N.[H][H].[H][H]
InChIInChI=1S/C18H15F2N5O.2H2/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-23-25)24-18(26)17(22)14-3-1-2-4-16(14)21;;/h1-8,10,22H,9,21H2,(H,24,26);2*1H/b22-17-;;
InChIKeyKSFUWRNPIAVVBI-BBFBTWSBSA-N
XLogP3.29
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen
CID 144529888
N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide
CID 144529817
2-(2-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-iminoacetamide
CID 144529952
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259778
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
1-[(2,4-difluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 55045761
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63753876
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylbutanamide
CID 35592036

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen?
The IUPAC name of 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen (CID 144529831) is 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen.
What is the SMILES notation for 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen?
The canonical SMILES for 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen is [H]/N=C(\C(=O)Nc1cnn(Cc2ccc(F)cc2F)c1)c1ccccc1N.[H][H].[H][H].
What is the InChIKey of 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen?
The InChIKey is KSFUWRNPIAVVBI-BBFBTWSBSA-N. The full InChI is InChI=1S/C18H15F2N5O.2H2/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-23-25)24-18(26)17(22)14-3-1-2-4-16(14)21;;/h1-8,10,22H,9,21H2,(H,24,26);2*1H/b22-17-;;.
What are the key properties of 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen?
2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen has a molecular weight of 359.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen is sourced from PubChem (CID 144529831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).