3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid

C15H14FN3O3 — CID 154846755

IUPAC3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14FN3O3/c16-10-3-1-9(2-4-10)15(5-6-15)8-17-13(20)11-7-12(14(21)22)19-18-11/h1-4,7H,5-6,8H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyBJKJQJXPEHWONZ-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.71
Rot. Bonds5

About 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid

3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 154846755) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid
PubChem CID154846755
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14FN3O3/c16-10-3-1-9(2-4-10)15(5-6-15)8-17-13(20)11-7-12(14(21)22)19-18-11/h1-4,7H,5-6,8H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyBJKJQJXPEHWONZ-UHFFFAOYSA-N
XLogP1.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid (CID 154846755) is 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid is O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is BJKJQJXPEHWONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-10-3-1-9(2-4-10)15(5-6-15)8-17-13(20)11-7-12(14(21)22)19-18-11/h1-4,7H,5-6,8H2,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid?
3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 154846755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).