3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 43611545

IUPAC3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(2)8-3-5-17-6-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyZVDQLFUUBCWWMX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.55
Rot. Bonds2

About 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide

3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43611545) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID43611545
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(2)8-3-5-17-6-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyZVDQLFUUBCWWMX-UHFFFAOYSA-N
XLogP0.55
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide (CID 43611545) is 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(C)C1CCOCC1.
What is the InChIKey of 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZVDQLFUUBCWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-9(10(12)14-13-7)11(16)15(2)8-3-5-17-6-4-8/h8H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide?
3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-(oxan-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43611545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).