N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide

C12H17N3O2 — CID 71810120

IUPACN-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)C1CCC1
InChIInChI=1S/C12H17N3O2/c16-12(9-2-1-3-9)14-10-6-13-15(7-10)11-4-5-17-8-11/h6-7,9,11H,1-5,8H2,(H,14,16)
InChIKeyUUALVCXRIKBOQY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.58
Rot. Bonds3

About N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide

N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide (PubChem CID 71810120) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
PubChem CID71810120
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)C1CCC1
InChIInChI=1S/C12H17N3O2/c16-12(9-2-1-3-9)14-10-6-13-15(7-10)11-4-5-17-8-11/h6-7,9,11H,1-5,8H2,(H,14,16)
InChIKeyUUALVCXRIKBOQY-UHFFFAOYSA-N
XLogP1.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide (CID 71810120) is N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide is O=C(Nc1cnn(C2CCOC2)c1)C1CCC1.
What is the InChIKey of N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide?
The InChIKey is UUALVCXRIKBOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(9-2-1-3-9)14-10-6-13-15(7-10)11-4-5-17-8-11/h6-7,9,11H,1-5,8H2,(H,14,16).
What are the key properties of N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide?
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71810120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).