N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 77086728

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]c2)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-16(2)12(3-5-18-6-4-12)9-13-11(17)10-7-14-15-8-10/h7-8H,3-6,9H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyXWLAMKOZQABHKB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.25
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 77086728) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID77086728
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn[nH]c2)CCOCC1
InChIInChI=1S/C12H20N4O2/c1-16(2)12(3-5-18-6-4-12)9-13-11(17)10-7-14-15-8-10/h7-8H,3-6,9H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyXWLAMKOZQABHKB-UHFFFAOYSA-N
XLogP0.25
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide (CID 77086728) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn[nH]c2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XWLAMKOZQABHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(2)12(3-5-18-6-4-12)9-13-11(17)10-7-14-15-8-10/h7-8H,3-6,9H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77086728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).