1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide

C19H21FN4O2 — CID 24790348

IUPAC1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(F)cc2)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C19H21FN4O2/c20-15-2-4-17(5-3-15)24-11-13(10-22-24)9-21-19(26)14-1-8-18(25)23(12-14)16-6-7-16/h2-5,10-11,14,16H,1,6-9,12H2,(H,21,26)
InChIKeyDJUWNNAHQQXIFF-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790348) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790348
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(F)cc2)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C19H21FN4O2/c20-15-2-4-17(5-3-15)24-11-13(10-22-24)9-21-19(26)14-1-8-18(25)23(12-14)16-6-7-16/h2-5,10-11,14,16H,1,6-9,12H2,(H,21,26)
InChIKeyDJUWNNAHQQXIFF-UHFFFAOYSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 24790348) is 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cnn(-c2ccc(F)cc2)c1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DJUWNNAHQQXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-2-4-17(5-3-15)24-11-13(10-22-24)9-21-19(26)14-1-8-18(25)23(12-14)16-6-7-16/h2-5,10-11,14,16H,1,6-9,12H2,(H,21,26).
What are the key properties of 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).