1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea

C18H26N4O — CID 125458925

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
SMILESCc1c(CN(C)C(=O)NCC[C@@H](C)c2ccccc2)cnn1C
InChIInChI=1S/C18H26N4O/c1-14(16-8-6-5-7-9-16)10-11-19-18(23)21(3)13-17-12-20-22(4)15(17)2/h5-9,12,14H,10-11,13H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyGRHXAKUTYQWPDT-CQSZACIVSA-N
MW314.43 g/mol
LogP3.06
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea (PubChem CID 125458925) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
PubChem CID125458925
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
SMILESCc1c(CN(C)C(=O)NCC[C@@H](C)c2ccccc2)cnn1C
InChIInChI=1S/C18H26N4O/c1-14(16-8-6-5-7-9-16)10-11-19-18(23)21(3)13-17-12-20-22(4)15(17)2/h5-9,12,14H,10-11,13H2,1-4H3,(H,19,23)/t14-/m1/s1
InChIKeyGRHXAKUTYQWPDT-CQSZACIVSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea (CID 125458925) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea is Cc1c(CN(C)C(=O)NCC[C@@H](C)c2ccccc2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea?
The InChIKey is GRHXAKUTYQWPDT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(16-8-6-5-7-9-16)10-11-19-18(23)21(3)13-17-12-20-22(4)15(17)2/h5-9,12,14H,10-11,13H2,1-4H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea has a molecular weight of 314.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea is sourced from PubChem (CID 125458925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).