4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide

C14H24N4O2 — CID 66119492

IUPAC4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC2CCCOC2)c1N
InChIInChI=1S/C14H24N4O2/c1-4-11-12(15)13(18(3)16-11)14(19)17(2)8-10-6-5-7-20-9-10/h10H,4-9,15H2,1-3H3
InChIKeyCHFKXIFOZVAPBQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide

4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 66119492) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID66119492
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CC2CCCOC2)c1N
InChIInChI=1S/C14H24N4O2/c1-4-11-12(15)13(18(3)16-11)14(19)17(2)8-10-6-5-7-20-9-10/h10H,4-9,15H2,1-3H3
InChIKeyCHFKXIFOZVAPBQ-UHFFFAOYSA-N
XLogP1.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 63725531
4-amino-N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125305
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
4-amino-3-ethyl-N,1-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-5-carboxamide
CID 82741443
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide (CID 66119492) is 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CC2CCCOC2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is CHFKXIFOZVAPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-11-12(15)13(18(3)16-11)14(19)17(2)8-10-6-5-7-20-9-10/h10H,4-9,15H2,1-3H3.
What are the key properties of 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide?
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66119492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).