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

C18H22ClN5O2 — CID 56716669

IUPAC[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-4-2-1-3-13(14)16-11-15(22-23-16)12-6-9-24(10-7-12)17(25)5-8-21-18(20)26/h1-4,11-12H,5-10H2,(H,22,23)(H3,20,21,26)
InChIKeyLOMFOMVOUZKFFW-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.49
Rot. Bonds5

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

[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 56716669) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
PubChem CID56716669
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-4-2-1-3-13(14)16-11-15(22-23-16)12-6-9-24(10-7-12)17(25)5-8-21-18(20)26/h1-4,11-12H,5-10H2,(H,22,23)(H3,20,21,26)
InChIKeyLOMFOMVOUZKFFW-UHFFFAOYSA-N
XLogP2.49
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-azabicyclo[2.2.2]octan-2-yl-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 138808918
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
CID 126429602
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 56720560
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 77085432
3-[2-[4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzenecarboximidamide
CID 23530948
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385
[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 119410376
N-[2-[4-[3-(1-benzothiophen-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-(diaminomethylideneamino)acetamide
CID 142256642
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-oxo-2-[4-[3-(2-phenoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]acetamide
CID 59087190
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea (CID 56716669) is [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1.
What is the InChIKey of [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is LOMFOMVOUZKFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-14-4-2-1-3-13(14)16-11-15(22-23-16)12-6-9-24(10-7-12)17(25)5-8-21-18(20)26/h1-4,11-12H,5-10H2,(H,22,23)(H3,20,21,26).
What are the key properties of [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea?
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 375.86 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 56716669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).