3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid

C10H8FN3O2 — CID 82079954

IUPAC3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESNc1n[nH]c(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-6-4-2-1-3-5(6)7-8(10(15)16)13-14-9(7)12/h1-4H,(H,15,16)(H3,12,13,14)
InChIKeyPDUAOUVRXVMQLU-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.50
Rot. Bonds2

About 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid

3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82079954) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82079954
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESNc1n[nH]c(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C10H8FN3O2/c11-6-4-2-1-3-5(6)7-8(10(15)16)13-14-9(7)12/h1-4H,(H,15,16)(H3,12,13,14)
InChIKeyPDUAOUVRXVMQLU-UHFFFAOYSA-N
XLogP1.50
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 82079954) is 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid is Nc1n[nH]c(C(=O)O)c1-c1ccccc1F.
What is the InChIKey of 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PDUAOUVRXVMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-4-2-1-3-5(6)7-8(10(15)16)13-14-9(7)12/h1-4H,(H,15,16)(H3,12,13,14).
What are the key properties of 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82079954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).