1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

C12H18N6O — CID 72862193

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H18N6O/c1-8-11(9(2)18(3)17-8)16-12(19)14-5-4-10-6-13-7-15-10/h6-7H,4-5H2,1-3H3,(H,13,15)(H2,14,16,19)
InChIKeyNRCLCTVVDIMQLR-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 72862193) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID72862193
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H18N6O/c1-8-11(9(2)18(3)17-8)16-12(19)14-5-4-10-6-13-7-15-10/h6-7H,4-5H2,1-3H3,(H,13,15)(H2,14,16,19)
InChIKeyNRCLCTVVDIMQLR-UHFFFAOYSA-N
XLogP1.12
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 72862193) is 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is NRCLCTVVDIMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-11(9(2)18(3)17-8)16-12(19)14-5-4-10-6-13-7-15-10/h6-7H,4-5H2,1-3H3,(H,13,15)(H2,14,16,19).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 262.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 72862193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).