1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

C15H24N6O — CID 71864897

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C15H24N6O/c1-11(2)9-20-6-5-16-14(20)8-17-15(22)19-13-7-18-21(10-13)12(3)4/h5-7,10-12H,8-9H2,1-4H3,(H2,17,19,22)
InChIKeyULBFUHXYDWBBGK-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.64
Rot. Bonds6

About 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 71864897) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID71864897
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)Cn1ccnc1CNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C15H24N6O/c1-11(2)9-20-6-5-16-14(20)8-17-15(22)19-13-7-18-21(10-13)12(3)4/h5-7,10-12H,8-9H2,1-4H3,(H2,17,19,22)
InChIKeyULBFUHXYDWBBGK-UHFFFAOYSA-N
XLogP2.64
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 71864897) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)Cn1ccnc1CNC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is ULBFUHXYDWBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11(2)9-20-6-5-16-14(20)8-17-15(22)19-13-7-18-21(10-13)12(3)4/h5-7,10-12H,8-9H2,1-4H3,(H2,17,19,22).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 304.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 71864897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).