1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea

C20H28FN5O — CID 126437498

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@H]1CCCCN1C
InChIInChI=1S/C20H28FN5O/c1-25-12-4-3-5-18(25)10-11-22-20(27)26(2)14-16-13-23-24-19(16)15-6-8-17(21)9-7-15/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H,22,27)(H,23,24)/t18-/m1/s1
InChIKeyOAIDDNDRBIPKMG-GOSISDBHSA-N
MW373.48 g/mol
LogP3.23
Rot. Bonds6

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea (PubChem CID 126437498) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea
PubChem CID126437498
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@H]1CCCCN1C
InChIInChI=1S/C20H28FN5O/c1-25-12-4-3-5-18(25)10-11-22-20(27)26(2)14-16-13-23-24-19(16)15-6-8-17(21)9-7-15/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H,22,27)(H,23,24)/t18-/m1/s1
InChIKeyOAIDDNDRBIPKMG-GOSISDBHSA-N
XLogP3.23
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea 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 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea (CID 126437498) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)NCC[C@H]1CCCCN1C.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea?
The InChIKey is OAIDDNDRBIPKMG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-25-12-4-3-5-18(25)10-11-22-20(27)26(2)14-16-13-23-24-19(16)15-6-8-17(21)9-7-15/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H,22,27)(H,23,24)/t18-/m1/s1.
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]urea is sourced from PubChem (CID 126437498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).