1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea

C13H22N4O2 — CID 146091310

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)c1nn(C)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-11(8-17(3)16-12)15-13(18)14-7-10-5-4-6-19-10/h8-10H,4-7H2,1-3H3,(H2,14,15,18)
InChIKeyOBCPCFCMZPZCJJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.84
Rot. Bonds4

About 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea

1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 146091310) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID146091310
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCC(C)c1nn(C)cc1NC(=O)NCC1CCCO1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-11(8-17(3)16-12)15-13(18)14-7-10-5-4-6-19-10/h8-10H,4-7H2,1-3H3,(H2,14,15,18)
InChIKeyOBCPCFCMZPZCJJ-UHFFFAOYSA-N
XLogP1.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 124853722
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597200
1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95597199
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
methyl 1-[(3R)-1-[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 98878498
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea (CID 146091310) is 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea is CC(C)c1nn(C)cc1NC(=O)NCC1CCCO1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is OBCPCFCMZPZCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)12-11(8-17(3)16-12)15-13(18)14-7-10-5-4-6-19-10/h8-10H,4-7H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 146091310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).