1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea

C12H20N4O2 — CID 72719638

IUPAC1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
SMILESCC(C)(C)NC(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)15-11(17)14-9-6-13-16(7-9)10-4-5-18-8-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17)
InChIKeyJHOOXFWXGHWMHV-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.76
Rot. Bonds2

About 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea

1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea (PubChem CID 72719638) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
PubChem CID72719638
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
SMILESCC(C)(C)NC(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)15-11(17)14-9-6-13-16(7-9)10-4-5-18-8-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17)
InChIKeyJHOOXFWXGHWMHV-UHFFFAOYSA-N
XLogP1.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719654
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea (CID 72719638) is 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea is CC(C)(C)NC(=O)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The InChIKey is JHOOXFWXGHWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)15-11(17)14-9-6-13-16(7-9)10-4-5-18-8-10/h6-7,10H,4-5,8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea has a molecular weight of 252.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 72719638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).