1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea

C22H33N5O — CID 72879483

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
SMILESCC(C)c1cc(NC(=O)NCC2CCN(CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C22H33N5O/c1-17(2)20-15-21(26(3)25-20)24-22(28)23-16-19-10-13-27(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,15,17,19H,9-14,16H2,1-3H3,(H2,23,24,28)
InChIKeyJLCCXHOZYGAHQC-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.62
Rot. Bonds7

About 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea (PubChem CID 72879483) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
PubChem CID72879483
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea
SMILESCC(C)c1cc(NC(=O)NCC2CCN(CCc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C22H33N5O/c1-17(2)20-15-21(26(3)25-20)24-22(28)23-16-19-10-13-27(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,15,17,19H,9-14,16H2,1-3H3,(H2,23,24,28)
InChIKeyJLCCXHOZYGAHQC-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
CID 126434100
1-(5-methyl-1,3-thiazol-2-yl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 136522981
1-(3-methyl-4-pyridinyl)-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 124569007
1-(5-chloro-2-methylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607953
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea (CID 72879483) is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea is CC(C)c1cc(NC(=O)NCC2CCN(CCc3ccccc3)CC2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea?
The InChIKey is JLCCXHOZYGAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17(2)20-15-21(26(3)25-20)24-22(28)23-16-19-10-13-27(14-11-19)12-9-18-7-5-4-6-8-18/h4-8,15,17,19H,9-14,16H2,1-3H3,(H2,23,24,28).
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea?
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea has a molecular weight of 383.54 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 72879483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).