3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide

C19H21FN4O2 — CID 86266740

IUPAC3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCn1cccc1C(O)CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C19H21FN4O2/c1-23-11-3-4-16(23)18(25)9-10-21-19(26)17-12-15(22-24(17)2)13-5-7-14(20)8-6-13/h3-8,11-12,18,25H,9-10H2,1-2H3,(H,21,26)
InChIKeyWZEBLQMPOUMYSP-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.42
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide (PubChem CID 86266740) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide
PubChem CID86266740
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide
SMILESCn1cccc1C(O)CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C19H21FN4O2/c1-23-11-3-4-16(23)18(25)9-10-21-19(26)17-12-15(22-24(17)2)13-5-7-14(20)8-6-13/h3-8,11-12,18,25H,9-10H2,1-2H3,(H,21,26)
InChIKeyWZEBLQMPOUMYSP-UHFFFAOYSA-N
XLogP2.42
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide (CID 86266740) is 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide is Cn1cccc1C(O)CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WZEBLQMPOUMYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23-11-3-4-16(23)18(25)9-10-21-19(26)17-12-15(22-24(17)2)13-5-7-14(20)8-6-13/h3-8,11-12,18,25H,9-10H2,1-2H3,(H,21,26).
What are the key properties of 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86266740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).