3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine

C15H10Cl2FN5 — CID 4920888

IUPAC3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2C=NNc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H10Cl2FN5/c16-11-5-13(17)15(19-8-11)23-21-7-10-6-20-22-14(10)9-1-3-12(18)4-2-9/h1-8H,(H,19,23)(H,20,22)
InChIKeyVWLDSTQHQVWIGI-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.36
Rot. Bonds4

About 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine

3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine (PubChem CID 4920888) has the molecular formula C15H10Cl2FN5 and a molecular weight of 350.18 g/mol. Its IUPAC name is 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine
PubChem CID4920888
Molecular FormulaC15H10Cl2FN5
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2C=NNc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H10Cl2FN5/c16-11-5-13(17)15(19-8-11)23-21-7-10-6-20-22-14(10)9-1-3-12(18)4-2-9/h1-8H,(H,19,23)(H,20,22)
InChIKeyVWLDSTQHQVWIGI-UHFFFAOYSA-N
XLogP4.36
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
3-N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine
CID 136726451
3-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 136611966
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-sulfonamide
CID 135873369
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
CID 7256549
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine (CID 4920888) is 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine is Fc1ccc(-c2[nH]ncc2C=NNc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine?
The InChIKey is VWLDSTQHQVWIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5/c16-11-5-13(17)15(19-8-11)23-21-7-10-6-20-22-14(10)9-1-3-12(18)4-2-9/h1-8H,(H,19,23)(H,20,22).
What are the key properties of 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine?
3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine has a molecular weight of 350.18 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 4920888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).