4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide

C15H14FN7O2 — CID 59733306

IUPAC4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCn1cc(N)nc1C(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN7O2/c1-23-7-11(17)21-13(23)15(25)20-10-6-18-22-12(10)14(24)19-9-4-2-8(16)3-5-9/h2-7H,17H2,1H3,(H,18,22)(H,19,24)(H,20,25)
InChIKeyVVCCSDLODRDOBO-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide

4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide (PubChem CID 59733306) has the molecular formula C15H14FN7O2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide
PubChem CID59733306
Molecular FormulaC15H14FN7O2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCn1cc(N)nc1C(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN7O2/c1-23-7-11(17)21-13(23)15(25)20-10-6-18-22-12(10)14(24)19-9-4-2-8(16)3-5-9/h2-7H,17H2,1H3,(H,18,22)(H,19,24)(H,20,25)
InChIKeyVVCCSDLODRDOBO-UHFFFAOYSA-N
XLogP1.37
TPSA130.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide (CID 59733306) is 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide is Cn1cc(N)nc1C(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is VVCCSDLODRDOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O2/c1-23-7-11(17)21-13(23)15(25)20-10-6-18-22-12(10)14(24)19-9-4-2-8(16)3-5-9/h2-7H,17H2,1H3,(H,18,22)(H,19,24)(H,20,25).
What are the key properties of 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide?
4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 343.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 59733306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).