1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea

C15H22N6O2 — CID 136585828

IUPAC1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea
SMILESCCn1ccc(NC(=O)N[C@@H]2CCC[C@@H]2Oc2cnn(C)c2)n1
InChIInChI=1S/C15H22N6O2/c1-3-21-8-7-14(19-21)18-15(22)17-12-5-4-6-13(12)23-11-9-16-20(2)10-11/h7-10,12-13H,3-6H2,1-2H3,(H2,17,18,19,22)/t12-,13+/m1/s1
InChIKeyXTMMKYFIAOOHAY-OLZOCXBDSA-N
MW318.38 g/mol
LogP1.76
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea

1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea (PubChem CID 136585828) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea
PubChem CID136585828
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea
SMILESCCn1ccc(NC(=O)N[C@@H]2CCC[C@@H]2Oc2cnn(C)c2)n1
InChIInChI=1S/C15H22N6O2/c1-3-21-8-7-14(19-21)18-15(22)17-12-5-4-6-13(12)23-11-9-16-20(2)10-11/h7-10,12-13H,3-6H2,1-2H3,(H2,17,18,19,22)/t12-,13+/m1/s1
InChIKeyXTMMKYFIAOOHAY-OLZOCXBDSA-N
XLogP1.76
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea (CID 136585828) is 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea is CCn1ccc(NC(=O)N[C@@H]2CCC[C@@H]2Oc2cnn(C)c2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea?
The InChIKey is XTMMKYFIAOOHAY-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-21-8-7-14(19-21)18-15(22)17-12-5-4-6-13(12)23-11-9-16-20(2)10-11/h7-10,12-13H,3-6H2,1-2H3,(H2,17,18,19,22)/t12-,13+/m1/s1.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea?
1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea has a molecular weight of 318.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea is sourced from PubChem (CID 136585828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).