4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 62080957

IUPAC4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC)CC2CCOC2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-10-11(14)12(16-15-10)13(18)17(4-2)7-9-5-6-19-8-9/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyCXERZLZPGAFIQC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds5

About 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080957) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080957
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC)CC2CCOC2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-10-11(14)12(16-15-10)13(18)17(4-2)7-9-5-6-19-8-9/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyCXERZLZPGAFIQC-UHFFFAOYSA-N
XLogP1.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
N-ethyl-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1,3-dihydroimidazole-4-carboxamide
CID 95275267
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-methyl-N-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 82741207
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 94815157
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62080957) is 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CC)CC2CCOC2)c1N.
What is the InChIKey of 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CXERZLZPGAFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-10-11(14)12(16-15-10)13(18)17(4-2)7-9-5-6-19-8-9/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).