2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide

C12H17N3O2 — CID 174999751

IUPAC2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C12H17N3O2/c13-12(16)10-5-9(10)8-6-14-15(7-8)11-3-1-2-4-17-11/h6-7,9-11H,1-5H2,(H2,13,16)
InChIKeyYVVDCVOOWXHGLT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.17
Rot. Bonds3

About 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide

2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 174999751) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID174999751
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C12H17N3O2/c13-12(16)10-5-9(10)8-6-14-15(7-8)11-3-1-2-4-17-11/h6-7,9-11H,1-5H2,(H2,13,16)
InChIKeyYVVDCVOOWXHGLT-UHFFFAOYSA-N
XLogP1.17
TPSA70.14 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 174999751) is 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide is NC(=O)C1CC1c1cnn(C2CCCCO2)c1.
What is the InChIKey of 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is YVVDCVOOWXHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)10-5-9(10)8-6-14-15(7-8)11-3-1-2-4-17-11/h6-7,9-11H,1-5H2,(H2,13,16).
What are the key properties of 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide?
2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 174999751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).