4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 62075730

IUPAC4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)C2CCOCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(18)17(3)9-4-6-19-7-5-9/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyWGYMOOTZWPZLOT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62075730) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62075730
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)C2CCOCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(18)17(3)9-4-6-19-7-5-9/h8-9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyWGYMOOTZWPZLOT-UHFFFAOYSA-N
XLogP1.37
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cycloheptyl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075731
4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076224
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
3-amino-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 64524424
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
4-amino-N-morpholin-4-yl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 83012582
4-amino-N-(cyclopropylmethyl)-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 62075249
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63688273
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62075730) is 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)C2CCOCC2)c1N.
What is the InChIKey of 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WGYMOOTZWPZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(18)17(3)9-4-6-19-7-5-9/h8-9H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).