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

C18H23FN6O2 — CID 56757256

IUPAC1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESNCCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN6O2/c19-13-2-1-3-14(12-13)22-18(27)23-16-5-9-21-25(16)15-6-10-24(11-7-15)17(26)4-8-20/h1-3,5,9,12,15H,4,6-8,10-11,20H2,(H2,22,23,27)
InChIKeyZUVSFCYEARFDAV-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.18
Rot. Bonds5

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

1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (PubChem CID 56757256) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
PubChem CID56757256
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESNCCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN6O2/c19-13-2-1-3-14(12-13)22-18(27)23-16-5-9-21-25(16)15-6-10-24(11-7-15)17(26)4-8-20/h1-3,5,9,12,15H,4,6-8,10-11,20H2,(H2,22,23,27)
InChIKeyZUVSFCYEARFDAV-UHFFFAOYSA-N
XLogP2.18
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (CID 56757256) is 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is NCCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The InChIKey is ZUVSFCYEARFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c19-13-2-1-3-14(12-13)22-18(27)23-16-5-9-21-25(16)15-6-10-24(11-7-15)17(26)4-8-20/h1-3,5,9,12,15H,4,6-8,10-11,20H2,(H2,22,23,27).
What are the key properties of 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea has a molecular weight of 374.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56757256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).