1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea

C17H19N5O2 — CID 24528551

IUPAC1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C17H19N5O2/c1-13-8-16(20-24-13)19-17(23)21(2)10-15-9-18-22(12-15)11-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyCLSJQBZXCLRBBF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds5

About 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 24528551) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID24528551
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C17H19N5O2/c1-13-8-16(20-24-13)19-17(23)21(2)10-15-9-18-22(12-15)11-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyCLSJQBZXCLRBBF-UHFFFAOYSA-N
XLogP2.89
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47041007
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
3-[(1-benzylpyrazol-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-methylurea
CID 87007525
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 24528551) is 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)no1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is CLSJQBZXCLRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13-8-16(20-24-13)19-17(23)21(2)10-15-9-18-22(12-15)11-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 325.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 24528551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).