1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

C17H27N5O2 — CID 118768286

IUPAC1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)NCCN1CCCCC1=O
InChIInChI=1S/C17H27N5O2/c1-12-11-19-22(13(2)14-6-7-14)16(12)20-17(24)18-8-10-21-9-4-3-5-15(21)23/h11,13-14H,3-10H2,1-2H3,(H2,18,20,24)
InChIKeyXVTSYAOYCWSNGK-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.30
Rot. Bonds6

About 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (PubChem CID 118768286) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
PubChem CID118768286
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)NCCN1CCCCC1=O
InChIInChI=1S/C17H27N5O2/c1-12-11-19-22(13(2)14-6-7-14)16(12)20-17(24)18-8-10-21-9-4-3-5-15(21)23/h11,13-14H,3-10H2,1-2H3,(H2,18,20,24)
InChIKeyXVTSYAOYCWSNGK-UHFFFAOYSA-N
XLogP2.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (CID 118768286) is 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is Cc1cnn(C(C)C2CC2)c1NC(=O)NCCN1CCCCC1=O.
What is the InChIKey of 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The InChIKey is XVTSYAOYCWSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-11-19-22(13(2)14-6-7-14)16(12)20-17(24)18-8-10-21-9-4-3-5-15(21)23/h11,13-14H,3-10H2,1-2H3,(H2,18,20,24).
What are the key properties of 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea has a molecular weight of 333.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 118768286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).