N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine

C17H16ClN5 — CID 3464689

IUPACN-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccccn1
InChIInChI=1S/C17H16ClN5/c1-13-15(11-20-21-16-9-5-6-10-19-16)17(18)23(22-13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyUSQRRXUAAYEYIR-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.73
Rot. Bonds5

About N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine

N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine (PubChem CID 3464689) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine
PubChem CID3464689
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC NameN-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccccn1
InChIInChI=1S/C17H16ClN5/c1-13-15(11-20-21-16-9-5-6-10-19-16)17(18)23(22-13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyUSQRRXUAAYEYIR-UHFFFAOYSA-N
XLogP3.73
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-3,5,6-trichloropyridine-2-carboxylic acid
CID 25379440
[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]urea
CID 6909076
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]phthalazin-1-amine
CID 7930178
3-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8974021
ethyl N-[(E)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]carbamate
CID 6909082
(Z)-1-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028217
N'-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179636
N-[(Z)-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]methylideneamino]pyridin-2-amine
CID 9121687
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026544
N-[(Z)-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316254
N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
CID 4840440

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine (CID 3464689) is N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine is Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccccn1.
What is the InChIKey of N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
The InChIKey is USQRRXUAAYEYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-13-15(11-20-21-16-9-5-6-10-19-16)17(18)23(22-13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine?
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine has a molecular weight of 325.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 3464689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).