1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

C23H26FN5O — CID 42192510

IUPAC1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN5O/c1-17-4-2-3-5-21(17)26-23(30)27-22-10-13-25-29(22)20-11-14-28(15-12-20)16-18-6-8-19(24)9-7-18/h2-10,13,20H,11-12,14-16H2,1H3,(H2,26,27,30)
InChIKeyRDXSFQIGWJEHME-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.81
Rot. Bonds5

About 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea (PubChem CID 42192510) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
PubChem CID42192510
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN5O/c1-17-4-2-3-5-21(17)26-23(30)27-22-10-13-25-29(22)20-11-14-28(15-12-20)16-18-6-8-19(24)9-7-18/h2-10,13,20H,11-12,14-16H2,1H3,(H2,26,27,30)
InChIKeyRDXSFQIGWJEHME-UHFFFAOYSA-N
XLogP4.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea (CID 42192510) is 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
The InChIKey is RDXSFQIGWJEHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-17-4-2-3-5-21(17)26-23(30)27-22-10-13-25-29(22)20-11-14-28(15-12-20)16-18-6-8-19(24)9-7-18/h2-10,13,20H,11-12,14-16H2,1H3,(H2,26,27,30).
What are the key properties of 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea?
1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea has a molecular weight of 407.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 42192510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).