[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea

C17H20ClN5O2 — CID 56710516

IUPAC[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)15-9-14(21-22-15)11-5-7-23(8-6-11)16(24)10-20-17(19)25/h1-4,9,11H,5-8,10H2,(H,21,22)(H3,19,20,25)
InChIKeyFGBOIXQDOLYRCJ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.10
Rot. Bonds4

About [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea

[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 56710516) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID56710516
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)15-9-14(21-22-15)11-5-7-23(8-6-11)16(24)10-20-17(19)25/h1-4,9,11H,5-8,10H2,(H,21,22)(H3,19,20,25)
InChIKeyFGBOIXQDOLYRCJ-UHFFFAOYSA-N
XLogP2.10
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

SP2456
CID 447945
2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 23530924
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 11156875
2-[1-(2-chloro-6-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16190584
(2R)-N-[2-[4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-cyclohexyl-2-(diaminomethylideneamino)acetamide
CID 11167953
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 11237940
(2R)-N-[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-cyclohexyl-2-(diaminomethylideneamino)acetamide
CID 11271985
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 45830073
N-(2-{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidino}-2-oxoethyl)acetamide
CID 53185295
[1-({4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl}carbonyl)cyclobutyl]amine hydrochloride
CID 56709112
N-{3-[4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl}urea
CID 56712626
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669

Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea (CID 56710516) is [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1.
What is the InChIKey of [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is FGBOIXQDOLYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)15-9-14(21-22-15)11-5-7-23(8-6-11)16(24)10-20-17(19)25/h1-4,9,11H,5-8,10H2,(H,21,22)(H3,19,20,25).
What are the key properties of [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 361.83 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 56710516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).