1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea

C18H24N4O2 — CID 97275907

IUPAC1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
SMILESC[C@H](c1ccccc1)n1nccc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14(16-5-3-2-4-6-16)22-17(7-10-20-22)21-18(23)19-13-15-8-11-24-12-9-15/h2-7,10,14-15H,8-9,11-13H2,1H3,(H2,19,21,23)/t14-/m1/s1
InChIKeyNIZFWGXSPHTIJP-CQSZACIVSA-N
MW328.42 g/mol
LogP3.04
Rot. Bonds5

About 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea

1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea (PubChem CID 97275907) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
PubChem CID97275907
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
SMILESC[C@H](c1ccccc1)n1nccc1NC(=O)NCC1CCOCC1
InChIInChI=1S/C18H24N4O2/c1-14(16-5-3-2-4-6-16)22-17(7-10-20-22)21-18(23)19-13-15-8-11-24-12-9-15/h2-7,10,14-15H,8-9,11-13H2,1H3,(H2,19,21,23)/t14-/m1/s1
InChIKeyNIZFWGXSPHTIJP-CQSZACIVSA-N
XLogP3.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97283704
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
CID 72924199
1-methyl-3-[2-(1-phenylethyl)pyrazol-3-yl]-1-(thian-4-yl)urea
CID 72847224
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 72933566
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97281829
2-(2-oxopiperidin-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 134707822
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 91639581

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea (CID 97275907) is 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea is C[C@H](c1ccccc1)n1nccc1NC(=O)NCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The InChIKey is NIZFWGXSPHTIJP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(16-5-3-2-4-6-16)22-17(7-10-20-22)21-18(23)19-13-15-8-11-24-12-9-15/h2-7,10,14-15H,8-9,11-13H2,1H3,(H2,19,21,23)/t14-/m1/s1.
What are the key properties of 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea is sourced from PubChem (CID 97275907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).