3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C18H23FN6O2 — CID 75473898

IUPAC3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H23FN6O2/c1-2-20-17(26)23-15-10-21-24-16(15)12-5-4-8-25(11-12)18(27)22-14-7-3-6-13(19)9-14/h3,6-7,9-10,12H,2,4-5,8,11H2,1H3,(H,21,24)(H,22,27)(H2,20,23,26)
InChIKeyKGBDJJUSJAWRLE-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.10
Rot. Bonds4

About 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 75473898) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID75473898
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H23FN6O2/c1-2-20-17(26)23-15-10-21-24-16(15)12-5-4-8-25(11-12)18(27)22-14-7-3-6-13(19)9-14/h3,6-7,9-10,12H,2,4-5,8,11H2,1H3,(H,21,24)(H,22,27)(H2,20,23,26)
InChIKeyKGBDJJUSJAWRLE-UHFFFAOYSA-N
XLogP3.10
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 75473898) is 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is CCNC(=O)Nc1cn[nH]c1C1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is KGBDJJUSJAWRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-2-20-17(26)23-15-10-21-24-16(15)12-5-4-8-25(11-12)18(27)22-14-7-3-6-13(19)9-14/h3,6-7,9-10,12H,2,4-5,8,11H2,1H3,(H,21,24)(H,22,27)(H2,20,23,26).
What are the key properties of 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 75473898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).