4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 62075134

IUPAC4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-5-9-11(14)12(17-16-9)13(18)15-8(2)10-6-4-7-19-10/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZJPZTIMXODZOMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.24
Rot. Bonds5

About 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075134) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075134
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N
InChIInChI=1S/C13H22N4O2/c1-3-5-9-11(14)12(17-16-9)13(18)15-8(2)10-6-4-7-19-10/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZJPZTIMXODZOMG-UHFFFAOYSA-N
XLogP1.24
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082095
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 113457627
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106208024
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 62075134) is 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N.
What is the InChIKey of 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZJPZTIMXODZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-9-11(14)12(17-16-9)13(18)15-8(2)10-6-4-7-19-10/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).