2-(oxan-4-ylmethyl)pyrazole-3-carboxamide

C10H15N3O2 — CID 90104813

IUPAC2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CC1CCOCC1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-12-13(9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyPHTYWDKTVFNYBC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.41
Rot. Bonds3

About 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide

2-(oxan-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 90104813) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID90104813
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CC1CCOCC1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-12-13(9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyPHTYWDKTVFNYBC-UHFFFAOYSA-N
XLogP0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide (CID 90104813) is 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccnn1CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is PHTYWDKTVFNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(14)9-1-4-12-13(9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14).
What are the key properties of 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 90104813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).