1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea

C19H26N4O2 — CID 124854952

IUPAC1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
SMILESC[C@@H](NC(=O)NCCC1(O)CCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(22-18(24)20-11-10-19(25)8-5-9-19)17-12-21-23(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,25H,5,8-11,13H2,1H3,(H2,20,22,24)/t15-/m1/s1
InChIKeyYDXNVLWVSOJVNJ-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.60
Rot. Bonds7

About 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea

1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea (PubChem CID 124854952) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
PubChem CID124854952
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
SMILESC[C@@H](NC(=O)NCCC1(O)CCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(22-18(24)20-11-10-19(25)8-5-9-19)17-12-21-23(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,25H,5,8-11,13H2,1H3,(H2,20,22,24)/t15-/m1/s1
InChIKeyYDXNVLWVSOJVNJ-OAHLLOKOSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71967479
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]urea
CID 154858095
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 75390009
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75390022
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86996629
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea (CID 124854952) is 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea is C[C@@H](NC(=O)NCCC1(O)CCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea?
The InChIKey is YDXNVLWVSOJVNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(22-18(24)20-11-10-19(25)8-5-9-19)17-12-21-23(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,25H,5,8-11,13H2,1H3,(H2,20,22,24)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea?
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea is sourced from PubChem (CID 124854952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).