acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine

C17H17ClN4O — CID 176658957

IUPACacetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC=O.CNc1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1
InChIInChI=1S/C15H13ClN4.C2H4O/c1-17-15-10-13(11-5-7-12(16)8-6-11)19-20(15)14-4-2-3-9-18-14;1-2-3/h2-10,17H,1H3;2H,1H3
InChIKeyNCLMHXNYVPFULA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.83
Rot. Bonds3

About acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine

acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine (PubChem CID 176658957) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Nameacetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
PubChem CID176658957
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Nameacetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC=O.CNc1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1
InChIInChI=1S/C15H13ClN4.C2H4O/c1-17-15-10-13(11-5-7-12(16)8-6-11)19-20(15)14-4-2-3-9-18-14;1-2-3/h2-10,17H,1H3;2H,1H3
InChIKeyNCLMHXNYVPFULA-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
CID 57160106
5-methoxy-2-[[3-(4-methylphenyl)-1-pyridin-2-ylpyrazol-5-yl]amino]benzoic acid
CID 71211731
6-(4-chlorophenyl)-3-methylpyrimidin-4-one
CID 30463000
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
CID 18778092
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
2-[3-(4-bromophenyl)-1-pyridin-2-ylpyrazol-5-yl]acetic acid
CID 138593461
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
4-[(Z)-prop-1-enyl]-2-pyridin-2-yl-1,2,4-triazol-3-one
CID 130288465
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine (CID 176658957) is acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine is CC=O.CNc1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1.
What is the InChIKey of acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine?
The InChIKey is NCLMHXNYVPFULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4.C2H4O/c1-17-15-10-13(11-5-7-12(16)8-6-11)19-20(15)14-4-2-3-9-18-14;1-2-3/h2-10,17H,1H3;2H,1H3.
What are the key properties of acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine?
acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine has a molecular weight of 328.80 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 176658957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).