N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide

C17H21N7 — CID 123571494

IUPACN-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide
SMILESC=N/C(=N/C(CC)=N/c1cc(C2CC2)[nH]n1)Nc1ccc(N)cc1
InChIInChI=1S/C17H21N7/c1-3-15(21-16-10-14(23-24-16)11-4-5-11)22-17(19-2)20-13-8-6-12(18)7-9-13/h6-11H,2-5,18H2,1H3,(H2,20,21,22,23,24)
InChIKeyZHSYPPHFVXNZKN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.48
Rot. Bonds4

About N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide

N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123571494) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound NameN-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123571494
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide
SMILESC=N/C(=N/C(CC)=N/c1cc(C2CC2)[nH]n1)Nc1ccc(N)cc1
InChIInChI=1S/C17H21N7/c1-3-15(21-16-10-14(23-24-16)11-4-5-11)22-17(19-2)20-13-8-6-12(18)7-9-13/h6-11H,2-5,18H2,1H3,(H2,20,21,22,23,24)
InChIKeyZHSYPPHFVXNZKN-UHFFFAOYSA-N
XLogP3.48
TPSA103.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123150480
N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide
CID 70891932
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[2-[(dimethylamino)methyl]morpholin-4-yl]-3-iminopropanimidamide
CID 123566647
2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide
CID 22176786
ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
CID 39191562
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
4-(5-cyclohexyl-1H-pyrazol-3-yl)aniline
CID 54853416
N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
CID 166220793
1-(5-cyclopropyl-1H-pyrazol-3-yl)-1-ethylurea
CID 174442006
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 169160053

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide (CID 123571494) is N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide is C=N/C(=N/C(CC)=N/c1cc(C2CC2)[nH]n1)Nc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is ZHSYPPHFVXNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-15(21-16-10-14(23-24-16)11-4-5-11)22-17(19-2)20-13-8-6-12(18)7-9-13/h6-11H,2-5,18H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide?
N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 323.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123571494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).