4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide

C14H26N4O2 — CID 62082355

IUPAC4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C14H26N4O2/c1-3-5-6-7-8-18(9-10-19)14(20)13-12(15)11(4-2)16-17-13/h19H,3-10,15H2,1-2H3,(H,16,17)
InChIKeySTMZRUNTHNNQCI-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.57
Rot. Bonds9

About 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62082355) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
PubChem CID62082355
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C14H26N4O2/c1-3-5-6-7-8-18(9-10-19)14(20)13-12(15)11(4-2)16-17-13/h19H,3-10,15H2,1-2H3,(H,16,17)
InChIKeySTMZRUNTHNNQCI-UHFFFAOYSA-N
XLogP1.57
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
CID 63695913
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
CID 62687260
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102858736
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide (CID 62082355) is 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide is CCCCCCN(CCO)C(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is STMZRUNTHNNQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-5-6-7-8-18(9-10-19)14(20)13-12(15)11(4-2)16-17-13/h19H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).