N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide

C10H7Cl2N3O — CID 123784450

IUPACN-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide
SMILESO=CNc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-2-7(8(12)3-6)10-9(13-5-16)4-14-15-10/h1-5H,(H,13,16)(H,14,15)
InChIKeyVUPSHOCPPJKETQ-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.95
Rot. Bonds3

About N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide

N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide (PubChem CID 123784450) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide
PubChem CID123784450
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide
SMILESO=CNc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-6-1-2-7(8(12)3-6)10-9(13-5-16)4-14-15-10/h1-5H,(H,13,16)(H,14,15)
InChIKeyVUPSHOCPPJKETQ-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 61395320
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79487686
N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 4693870
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N-[5-(2,4-dichlorophenyl)-1,7-naphthyridin-3-yl]formamide
CID 174888346
4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
CID 106517997
3-(2,4-dichlorophenyl)-1H-pyridazin-6-one
CID 43583824
N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
CID 3160550
N-[4-chloro-2-(2-chloro-3-pyridinyl)phenyl]formamide
CID 151611576
2-chloro-5-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 119008873
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
4-chloro-2-formamidobenzoic acid
CID 61146469

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide (CID 123784450) is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide is O=CNc1cn[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide?
The InChIKey is VUPSHOCPPJKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-1-2-7(8(12)3-6)10-9(13-5-16)4-14-15-10/h1-5H,(H,13,16)(H,14,15).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide?
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide has a molecular weight of 256.09 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]formamide is sourced from PubChem (CID 123784450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).