4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide

C18H17FN4O2 — CID 72719621

IUPAC4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C18H17FN4O2/c19-14-3-1-12(2-4-14)13-7-17(20-8-13)18(24)22-15-9-21-23(10-15)16-5-6-25-11-16/h1-4,7-10,16,20H,5-6,11H2,(H,22,24)
InChIKeyBXRFGWGPJPGCFE-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.23
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 72719621) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID72719621
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C18H17FN4O2/c19-14-3-1-12(2-4-14)13-7-17(20-8-13)18(24)22-15-9-21-23(10-15)16-5-6-25-11-16/h1-4,7-10,16,20H,5-6,11H2,(H,22,24)
InChIKeyBXRFGWGPJPGCFE-UHFFFAOYSA-N
XLogP3.23
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (CID 72719621) is 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is O=C(Nc1cnn(C2CCOC2)c1)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is BXRFGWGPJPGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-3-1-12(2-4-14)13-7-17(20-8-13)18(24)22-15-9-21-23(10-15)16-5-6-25-11-16/h1-4,7-10,16,20H,5-6,11H2,(H,22,24).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 72719621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).