3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C14H13F2N3O4 — CID 19471272

IUPAC3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)Nc2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C14H13F2N3O4/c15-14(16)23-11-3-1-10(2-4-11)18-13(22)9-7-17-19(8-9)6-5-12(20)21/h1-4,7-8,14H,5-6H2,(H,18,22)(H,20,21)
InChIKeyQFZLZXWNCGGMOQ-UHFFFAOYSA-N
MW325.27 g/mol
LogP2.21
Rot. Bonds7

About 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19471272) has the molecular formula C14H13F2N3O4 and a molecular weight of 325.27 g/mol. Its IUPAC name is 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19471272
Molecular FormulaC14H13F2N3O4
Molecular Weight325.27 g/mol
Exact Mass325.09
IUPAC Name3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)Nc2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C14H13F2N3O4/c15-14(16)23-11-3-1-10(2-4-11)18-13(22)9-7-17-19(8-9)6-5-12(20)21/h1-4,7-8,14H,5-6H2,(H,18,22)(H,20,21)
InChIKeyQFZLZXWNCGGMOQ-UHFFFAOYSA-N
XLogP2.21
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471152
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
1-[3-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483095
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 47175480
5-[[4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494265
3-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471099
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030
3-[4-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471227
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19471272) is 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(C(=O)Nc2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QFZLZXWNCGGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O4/c15-14(16)23-11-3-1-10(2-4-11)18-13(22)9-7-17-19(8-9)6-5-12(20)21/h1-4,7-8,14H,5-6H2,(H,18,22)(H,20,21).
What are the key properties of 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 325.27 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19471272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).