4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide

C15H16N4O3 — CID 47835221

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C15H16N4O3/c1-21-13-9-11(10-16)4-5-12(13)22-8-2-3-15(20)18-14-6-7-17-19-14/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19,20)
InChIKeyVXHBMVUZJRHDFP-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.09
Rot. Bonds7

About 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide (PubChem CID 47835221) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
PubChem CID47835221
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C15H16N4O3/c1-21-13-9-11(10-16)4-5-12(13)22-8-2-3-15(20)18-14-6-7-17-19-14/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19,20)
InChIKeyVXHBMVUZJRHDFP-UHFFFAOYSA-N
XLogP2.09
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55760950
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533
4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46469598
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide (CID 47835221) is 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn[nH]1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide?
The InChIKey is VXHBMVUZJRHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-21-13-9-11(10-16)4-5-12(13)22-8-2-3-15(20)18-14-6-7-17-19-14/h4-7,9H,2-3,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide has a molecular weight of 300.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 47835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).