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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Related Compounds

1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
1-(2-Fluorophenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea
CID 71807479
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-fluorophenyl)propanamide
CID 136087051
2-[1-(4-Fluoro-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N-isopropyl-acetamide
CID 1433534
N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24793035
1-(3-fluorophenyl)-7-methyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 45273524
N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]acetamide
CID 692153
1-(4-((6-(1H-pyrazol-1-yl)pyridazin-3-yl)amino)phenyl)-3-(3-fluorophenyl)urea
CID 16839228
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)propanamide
CID 16882746
N-allyl-4-{5-[(4-phenylbutanoyl)amino]-1H-pyrazol-1-yl}-1-piperidinecarboxamide
CID 24791037
1-(3-Fluorophenyl)-3-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 24791716

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).