N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide

C13H15N3O2 — CID 168653643

IUPACN-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide
SMILESCc1ccn(CCOc2ccccc2NC=O)n1
InChIInChI=1S/C13H15N3O2/c1-11-6-7-16(15-11)8-9-18-13-5-3-2-4-12(13)14-10-17/h2-7,10H,8-9H2,1H3,(H,14,17)
InChIKeyMJMPGHVBLCRIKL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds6

About N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide

N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide (PubChem CID 168653643) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide
PubChem CID168653643
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide
SMILESCc1ccn(CCOc2ccccc2NC=O)n1
InChIInChI=1S/C13H15N3O2/c1-11-6-7-16(15-11)8-9-18-13-5-3-2-4-12(13)14-10-17/h2-7,10H,8-9H2,1H3,(H,14,17)
InChIKeyMJMPGHVBLCRIKL-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-[[2-[2-(3-methylpyrazol-1-yl)ethoxy]anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168538534
1-[2-[2-(furan-2-yl)phenoxy]ethyl]-3-methylpyrazole
CID 168526302
N-[2-(2-phenoxyethoxy)phenyl]formamide
CID 168654375
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide
CID 63311110
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
methanamine;N-(2-methoxyphenyl)formamide
CID 143368119
tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
CID 144684417
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazole
CID 103184144

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide?
The IUPAC name of N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide (CID 168653643) is N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide.
What is the SMILES notation for N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide?
The canonical SMILES for N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide is Cc1ccn(CCOc2ccccc2NC=O)n1.
What is the InChIKey of N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide?
The InChIKey is MJMPGHVBLCRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-11-6-7-16(15-11)8-9-18-13-5-3-2-4-12(13)14-10-17/h2-7,10H,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide?
N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide has a molecular weight of 245.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]formamide is sourced from PubChem (CID 168653643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).