N-(oxan-4-yl)-1H-pyrazole-4-carboxamide

C9H13N3O2 — CID 43610568

IUPACN-(oxan-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O2/c13-9(7-5-10-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyTYAJSOCAMMHRDC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.32
Rot. Bonds2

About N-(oxan-4-yl)-1H-pyrazole-4-carboxamide

N-(oxan-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43610568) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(oxan-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID43610568
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(oxan-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O2/c13-9(7-5-10-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13)
InChIKeyTYAJSOCAMMHRDC-UHFFFAOYSA-N
XLogP0.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1H-pyrazole-4-carboxamide (CID 43610568) is N-(oxan-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCOCC1)c1cn[nH]c1.
What is the InChIKey of N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is TYAJSOCAMMHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(7-5-10-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
N-(oxan-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43610568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).