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

C18H23ClN6O2 — CID 56750760

IUPAC1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-12(20)17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m0/s1
InChIKeyHHOCDJAOUAZHRN-LBPRGKRZSA-N
MW390.88 g/mol
LogP2.69
Rot. Bonds4

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

1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (PubChem CID 56750760) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
PubChem CID56750760
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
SMILESC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN6O2/c1-12(20)17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m0/s1
InChIKeyHHOCDJAOUAZHRN-LBPRGKRZSA-N
XLogP2.69
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
N-(2-chloro-4-fluorophenyl)-2-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 16028821
N~2~-[1-(2-Chlorophenyl)-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-N-phenylalaninamide
CID 136217453
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
N-[4-(1-azepanylcarbonyl)-1-(2-chlorophenyl)-1H-pyrazol-5-yl]acetamide
CID 991534
N-[1-(1-beta-alanylpiperidin-4-yl)-1H-pyrazol-5-yl]-N'-(3-fluorophenyl)urea
CID 56757256
N-(3-fluorophenyl)-N'-[1-(1-glycylpiperidin-4-yl)-1H-pyrazol-5-yl]urea
CID 56746746
N-(4-Chloro-3-fluorophenyl)-N'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanediamide
CID 135923235
2-[1-(2-Chloro-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-diisopropyl-acetamide
CID 654322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea (CID 56750760) is 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is C[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
The InChIKey is HHOCDJAOUAZHRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-12(20)17(26)24-10-7-13(8-11-24)25-16(6-9-21-25)23-18(27)22-15-5-3-2-4-14(15)19/h2-6,9,12-13H,7-8,10-11,20H2,1H3,(H2,22,23,27)/t12-/m0/s1.
What are the key properties of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea?
1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea has a molecular weight of 390.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 56750760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).