N-[4-(4-chloropyrazol-1-yl)phenyl]formamide

C10H8ClN3O — CID 168653170

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H8ClN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15)
InChIKeySNLAYZDPHDNSJT-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.09
Rot. Bonds3

About N-[4-(4-chloropyrazol-1-yl)phenyl]formamide

N-[4-(4-chloropyrazol-1-yl)phenyl]formamide (PubChem CID 168653170) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]formamide
PubChem CID168653170
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H8ClN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15)
InChIKeySNLAYZDPHDNSJT-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)phenyl]formamide
CID 168652639
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
5-[[4-(4-chloropyrazol-1-yl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539038
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
4-chloro-1-(4-nitrophenyl)pyrazole
CID 23036556
N-[4-[4-(4-methylquinolin-2-yl)pyrazol-1-yl]phenyl]formamide
CID 142256171
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 39853112
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide
CID 11899499

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]formamide (CID 168653170) is N-[4-(4-chloropyrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]formamide is O=CNc1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]formamide?
The InChIKey is SNLAYZDPHDNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-5-13-14(6-8)10-3-1-9(2-4-10)12-7-15/h1-7H,(H,12,15).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]formamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide has a molecular weight of 221.65 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 168653170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).