3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea

C18H30N4O2 — CID 122562703

IUPAC3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
SMILESCCn1nc(C)c(CN(CCOC)C(=O)NC2(C3CC3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-5-22-14(3)16(13(2)20-22)12-21(10-11-24-4)17(23)19-18(8-9-18)15-6-7-15/h15H,5-12H2,1-4H3,(H,19,23)
InChIKeyICVKTWWIRUPPRR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.62
Rot. Bonds8

About 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea

3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea (PubChem CID 122562703) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
PubChem CID122562703
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea
SMILESCCn1nc(C)c(CN(CCOC)C(=O)NC2(C3CC3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-5-22-14(3)16(13(2)20-22)12-21(10-11-24-4)17(23)19-18(8-9-18)15-6-7-15/h15H,5-12H2,1-4H3,(H,19,23)
InChIKeyICVKTWWIRUPPRR-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea (CID 122562703) is 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea is CCn1nc(C)c(CN(CCOC)C(=O)NC2(C3CC3)CC2)c1C.
What is the InChIKey of 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
The InChIKey is ICVKTWWIRUPPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-22-14(3)16(13(2)20-22)12-21(10-11-24-4)17(23)19-18(8-9-18)15-6-7-15/h15H,5-12H2,1-4H3,(H,19,23).
What are the key properties of 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea?
3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea has a molecular weight of 334.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylcyclopropyl)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 122562703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).