methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate

C14H15N3O3 — CID 47174001

IUPACmethyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)7-6-13(18)16-11-4-2-10(3-5-11)12-8-9-15-17-12/h2-5,8-9H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyLQVMSFKMQBVACD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.97
Rot. Bonds5

About methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate

methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate (PubChem CID 47174001) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
PubChem CID47174001
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)7-6-13(18)16-11-4-2-10(3-5-11)12-8-9-15-17-12/h2-5,8-9H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyLQVMSFKMQBVACD-UHFFFAOYSA-N
XLogP1.97
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate 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

4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144
methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]butanoate
CID 110720176
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate?
The IUPAC name of methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate (CID 47174001) is methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate is COC(=O)CCC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate?
The InChIKey is LQVMSFKMQBVACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14(19)7-6-13(18)16-11-4-2-10(3-5-11)12-8-9-15-17-12/h2-5,8-9H,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate?
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate has a molecular weight of 273.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate is sourced from PubChem (CID 47174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).