2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen

C19H23N5O2 — CID 144529888

IUPAC2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccccc2OC)c1)c1ccccc1N.[H][H].[H][H]
InChIInChI=1S/C19H19N5O2.2H2/c1-26-17-9-5-2-6-13(17)11-24-12-14(10-22-24)23-19(25)18(21)15-7-3-4-8-16(15)20;;/h2-10,12,21H,11,20H2,1H3,(H,23,25);2*1H/b21-18-;;
InChIKeyWYPBJJWQOUTSKS-LUUCHEBKSA-N
MW353.43 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen

2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen (PubChem CID 144529888) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen
PubChem CID144529888
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccccc2OC)c1)c1ccccc1N.[H][H].[H][H]
InChIInChI=1S/C19H19N5O2.2H2/c1-26-17-9-5-2-6-13(17)11-24-12-14(10-22-24)23-19(25)18(21)15-7-3-4-8-16(15)20;;/h2-10,12,21H,11,20H2,1H3,(H,23,25);2*1H/b21-18-;;
InChIKeyWYPBJJWQOUTSKS-LUUCHEBKSA-N
XLogP3.02
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
CID 144529831
2-(2-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-iminoacetamide
CID 144529952
N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide
CID 144529817
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 126462403
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
but-2-ynyl N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]carbamate
CID 3848041
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
methyl 2-[[4-[(2-ethoxyphenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344655
methyl 2-[[4-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344672

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen (CID 144529888) is 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen is [H]/N=C(\C(=O)Nc1cnn(Cc2ccccc2OC)c1)c1ccccc1N.[H][H].[H][H].
What is the InChIKey of 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen?
The InChIKey is WYPBJJWQOUTSKS-LUUCHEBKSA-N. The full InChI is InChI=1S/C19H19N5O2.2H2/c1-26-17-9-5-2-6-13(17)11-24-12-14(10-22-24)23-19(25)18(21)15-7-3-4-8-16(15)20;;/h2-10,12,21H,11,20H2,1H3,(H,23,25);2*1H/b21-18-;;.
What are the key properties of 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen?
2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen has a molecular weight of 353.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 144529888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).