4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

C11H20N4O — CID 62081799

IUPAC4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C11H20N4O/c1-4-6-7-15(3)11(16)10-9(12)8(5-2)13-14-10/h4-7,12H2,1-3H3,(H,13,14)
InChIKeyVZWWBMXZVCTDPU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.43
Rot. Bonds5

About 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide

4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081799) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081799
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C11H20N4O/c1-4-6-7-15(3)11(16)10-9(12)8(5-2)13-14-10/h4-7,12H2,1-3H3,(H,13,14)
InChIKeyVZWWBMXZVCTDPU-UHFFFAOYSA-N
XLogP1.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 106913881
4-amino-5-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55033953
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076132
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 63693551
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide (CID 62081799) is 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is VZWWBMXZVCTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-6-7-15(3)11(16)10-9(12)8(5-2)13-14-10/h4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).