1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea

C20H25N5O2 — CID 25370807

IUPAC1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESC=CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H25N5O2/c1-3-6-19(26)24-13-10-16(11-14-24)25-18(9-12-21-25)23-20(27)22-17-8-5-4-7-15(17)2/h3-5,7-9,12,16H,1,6,10-11,13-14H2,2H3,(H2,22,23,27)
InChIKeyAZLZJNCPUKTRPR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.58
Rot. Bonds5

About 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea

1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea (PubChem CID 25370807) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea
PubChem CID25370807
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea
SMILESC=CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1
InChIInChI=1S/C20H25N5O2/c1-3-6-19(26)24-13-10-16(11-14-24)25-18(9-12-21-25)23-20(27)22-17-8-5-4-7-15(17)2/h3-5,7-9,12,16H,1,6,10-11,13-14H2,2H3,(H2,22,23,27)
InChIKeyAZLZJNCPUKTRPR-UHFFFAOYSA-N
XLogP3.58
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
1-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 26329645
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482
1-[2-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 56754329
1-(2-methylphenyl)-3-[2-[1-(4-pyrazol-1-ylbutan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea
CID 126461088
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
1-(2-chlorophenyl)-3-[2-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25298239
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea (CID 25370807) is 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea is C=CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1.
What is the InChIKey of 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea?
The InChIKey is AZLZJNCPUKTRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-6-19(26)24-13-10-16(11-14-24)25-18(9-12-21-25)23-20(27)22-17-8-5-4-7-15(17)2/h3-5,7-9,12,16H,1,6,10-11,13-14H2,2H3,(H2,22,23,27).
What are the key properties of 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea?
1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea has a molecular weight of 367.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 25370807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).