N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide

C19H20N6O — CID 144529817

IUPACN-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccc(CN)cc2)c1)c1ccccc1N
InChIInChI=1S/C19H20N6O/c20-9-13-5-7-14(8-6-13)11-25-12-15(10-23-25)24-19(26)18(22)16-3-1-2-4-17(16)21/h1-8,10,12,22H,9,11,20-21H2,(H,24,26)/b22-18-
InChIKeyMILPKLDTWSHANU-PYCFMQQDSA-N
MW348.41 g/mol
LogP1.98
Rot. Bonds6

About N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide

N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide (PubChem CID 144529817) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide.

Molecular Properties

Compound NameN-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide
PubChem CID144529817
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cnn(Cc2ccc(CN)cc2)c1)c1ccccc1N
InChIInChI=1S/C19H20N6O/c20-9-13-5-7-14(8-6-13)11-25-12-15(10-23-25)24-19(26)18(22)16-3-1-2-4-17(16)21/h1-8,10,12,22H,9,11,20-21H2,(H,24,26)/b22-18-
InChIKeyMILPKLDTWSHANU-PYCFMQQDSA-N
XLogP1.98
TPSA122.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.98
H-Bond Donors ≤ 54
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-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-iminoacetamide
CID 144529952
2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
CID 144529831
2-(2-aminophenyl)-2-imino-N-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]acetamide;molecular hydrogen
CID 144529888
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
2-(2-aminophenyl)-2-imino-N-(2-pyridin-3-ylethyl)acetamide
CID 166984578
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide?
The IUPAC name of N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide (CID 144529817) is N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide.
What is the SMILES notation for N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide?
The canonical SMILES for N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide is [H]/N=C(\C(=O)Nc1cnn(Cc2ccc(CN)cc2)c1)c1ccccc1N.
What is the InChIKey of N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide?
The InChIKey is MILPKLDTWSHANU-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H20N6O/c20-9-13-5-7-14(8-6-13)11-25-12-15(10-23-25)24-19(26)18(22)16-3-1-2-4-17(16)21/h1-8,10,12,22H,9,11,20-21H2,(H,24,26)/b22-18-.
What are the key properties of N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide?
N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide has a molecular weight of 348.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(aminomethyl)phenyl]methyl]pyrazol-4-yl]-2-(2-aminophenyl)-2-iminoacetamide is sourced from PubChem (CID 144529817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).