1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C16H22N4O3 — CID 110896237

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H22N4O3/c21-13(14-7-4-10-23-14)11-17-16(22)19-15-8-9-18-20(15)12-5-2-1-3-6-12/h4,7-10,12-13,21H,1-3,5-6,11H2,(H2,17,19,22)
InChIKeyCMFHGELYNIDQQH-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 110896237) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID110896237
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C16H22N4O3/c21-13(14-7-4-10-23-14)11-17-16(22)19-15-8-9-18-20(15)12-5-2-1-3-6-12/h4,7-10,12-13,21H,1-3,5-6,11H2,(H2,17,19,22)
InChIKeyCMFHGELYNIDQQH-UHFFFAOYSA-N
XLogP2.84
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920834
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755833
N-(2-cyclopentylpyrazol-3-yl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755834
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
CID 118777990
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038599
1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424885
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 110896237) is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is CMFHGELYNIDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-13(14-7-4-10-23-14)11-17-16(22)19-15-8-9-18-20(15)12-5-2-1-3-6-12/h4,7-10,12-13,21H,1-3,5-6,11H2,(H2,17,19,22).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110896237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).