1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C18H26N4O3 — CID 97086737

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-13(12-15(23)16-8-5-11-25-16)20-18(24)21-17-9-10-19-22(17)14-6-3-2-4-7-14/h5,8-11,13-15,23H,2-4,6-7,12H2,1H3,(H2,20,21,24)/t13-,15-/m0/s1
InChIKeyOJPSHRJNBYBCTJ-ZFWWWQNUSA-N
MW346.43 g/mol
LogP3.62
Rot. Bonds6

About 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 97086737) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
PubChem CID97086737
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-13(12-15(23)16-8-5-11-25-16)20-18(24)21-17-9-10-19-22(17)14-6-3-2-4-7-14/h5,8-11,13-15,23H,2-4,6-7,12H2,1H3,(H2,20,21,24)/t13-,15-/m0/s1
InChIKeyOJPSHRJNBYBCTJ-ZFWWWQNUSA-N
XLogP3.62
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920834
1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424885
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671
N-(2-cyclopentylpyrazol-3-yl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755834
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755833
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
CID 118777990
1-(2-cyclohexylpyrazol-3-yl)-3-(2-hydroxycyclohexyl)urea
CID 111116972
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 97086737) is 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is C[C@@H](C[C@H](O)c1ccco1)NC(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The InChIKey is OJPSHRJNBYBCTJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(12-15(23)16-8-5-11-25-16)20-18(24)21-17-9-10-19-22(17)14-6-3-2-4-7-14/h5,8-11,13-15,23H,2-4,6-7,12H2,1H3,(H2,20,21,24)/t13-,15-/m0/s1.
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 346.43 g/mol, XLogP of 3.62, 6 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-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 97086737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).