methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate

C18H23N3O3 — CID 119035906

IUPACmethyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate
SMILESCOC(=O)CC(C)c1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-11(2)17-15(10-19-21-17)18(23)20-14-7-5-13(6-8-14)12(3)9-16(22)24-4/h5-8,10-12H,9H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyHNLZEEYXECGJDM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.45
Rot. Bonds6

About methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate

methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate (PubChem CID 119035906) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate
PubChem CID119035906
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate
SMILESCOC(=O)CC(C)c1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-11(2)17-15(10-19-21-17)18(23)20-14-7-5-13(6-8-14)12(3)9-16(22)24-4/h5-8,10-12H,9H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyHNLZEEYXECGJDM-UHFFFAOYSA-N
XLogP3.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate with MolForge

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Related Compounds

5-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43337237
N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 46995504
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
CID 43159637
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
CID 55923570
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 106910470
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 114840514

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate?
The IUPAC name of methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate (CID 119035906) is methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate.
What is the SMILES notation for methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate?
The canonical SMILES for methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate is COC(=O)CC(C)c1ccc(NC(=O)c2cn[nH]c2C(C)C)cc1.
What is the InChIKey of methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate?
The InChIKey is HNLZEEYXECGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)17-15(10-19-21-17)18(23)20-14-7-5-13(6-8-14)12(3)9-16(22)24-4/h5-8,10-12H,9H2,1-4H3,(H,19,21)(H,20,23).
What are the key properties of methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate?
methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate has a molecular weight of 329.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(5-propan-2-yl-1H-pyrazole-4-carbonyl)amino]phenyl]butanoate is sourced from PubChem (CID 119035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).