4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C10H9FN4O — CID 24971314

IUPAC4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)14-10(16)9-8(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyMHDUXNMHCRWOIT-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.38
Rot. Bonds2

About 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 24971314) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID24971314
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)14-10(16)9-8(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16)
InChIKeyMHDUXNMHCRWOIT-UHFFFAOYSA-N
XLogP1.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 24971314) is 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MHDUXNMHCRWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)14-10(16)9-8(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 220.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).