1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea

C22H33N5O — CID 119045598

IUPAC1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
SMILESCCN1CCC(CCNC(=O)Nc2nn(C(C)c3ccccc3)cc2C)CC1
InChIInChI=1S/C22H33N5O/c1-4-26-14-11-19(12-15-26)10-13-23-22(28)24-21-17(2)16-27(25-21)18(3)20-8-6-5-7-9-20/h5-9,16,18-19H,4,10-15H2,1-3H3,(H2,23,24,25,28)
InChIKeyIEULPXXMEVEZMU-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.04
Rot. Bonds7

About 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea (PubChem CID 119045598) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
PubChem CID119045598
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
SMILESCCN1CCC(CCNC(=O)Nc2nn(C(C)c3ccccc3)cc2C)CC1
InChIInChI=1S/C22H33N5O/c1-4-26-14-11-19(12-15-26)10-13-23-22(28)24-21-17(2)16-27(25-21)18(3)20-8-6-5-7-9-20/h5-9,16,18-19H,4,10-15H2,1-3H3,(H2,23,24,25,28)
InChIKeyIEULPXXMEVEZMU-UHFFFAOYSA-N
XLogP4.04
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea with MolForge

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Related Compounds

1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
CID 119045608
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 99791560
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]urea
CID 121497179
1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
CID 118770128
N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119045768
1-(2-hydroxy-1-phenylethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933484
1-benzyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111779132
1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 50822700
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111786266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea (CID 119045598) is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea is CCN1CCC(CCNC(=O)Nc2nn(C(C)c3ccccc3)cc2C)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea?
The InChIKey is IEULPXXMEVEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-26-14-11-19(12-15-26)10-13-23-22(28)24-21-17(2)16-27(25-21)18(3)20-8-6-5-7-9-20/h5-9,16,18-19H,4,10-15H2,1-3H3,(H2,23,24,25,28).
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea?
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea has a molecular weight of 383.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 119045598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).