1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

C17H20N6O — CID 95273993

IUPAC1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-14(11-22-10-9-18-13-22)20-17(24)21-16-7-8-19-23(16)12-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyMSRCIZMICFYTTB-CQSZACIVSA-N
MW324.39 g/mol
LogP2.34
Rot. Bonds6

About 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 95273993) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID95273993
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C17H20N6O/c1-14(11-22-10-9-18-13-22)20-17(24)21-16-7-8-19-23(16)12-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyMSRCIZMICFYTTB-CQSZACIVSA-N
XLogP2.34
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71877714

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (CID 95273993) is 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is C[C@H](Cn1ccnc1)NC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is MSRCIZMICFYTTB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O/c1-14(11-22-10-9-18-13-22)20-17(24)21-16-7-8-19-23(16)12-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 324.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95273993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).