N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide

C13H15N3O3 — CID 54867752

IUPACN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O3/c1-18-5-6-19-12-4-2-3-11(7-12)16-13(17)10-8-14-15-9-10/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyDYNBTXLWHYZQSG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.69
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide

N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 54867752) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID54867752
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C13H15N3O3/c1-18-5-6-19-12-4-2-3-11(7-12)16-13(17)10-8-14-15-9-10/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyDYNBTXLWHYZQSG-UHFFFAOYSA-N
XLogP1.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 47267959
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 54867752) is N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide is COCCOc1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DYNBTXLWHYZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-5-6-19-12-4-2-3-11(7-12)16-13(17)10-8-14-15-9-10/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide?
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54867752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).