4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide

C12H22N4O — CID 62092746

IUPAC4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide
SMILESCCCC(CC)NC(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C12H22N4O/c1-4-7-8(5-2)14-12(17)11-10(13)9(6-3)15-16-11/h8H,4-7,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUVEYJBCNSQOSEU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.86
Rot. Bonds6

About 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 62092746) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide
PubChem CID62092746
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide
SMILESCCCC(CC)NC(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C12H22N4O/c1-4-7-8(5-2)14-12(17)11-10(13)9(6-3)15-16-11/h8H,4-7,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyUVEYJBCNSQOSEU-UHFFFAOYSA-N
XLogP1.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 79248265
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
4-amino-5-ethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 62080944
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 113449775
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 102694323
4-amino-5-ethyl-N-[1-(furan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 62082159
4-amino-N-[1-(2-chlorophenyl)ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081467
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077091

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide (CID 62092746) is 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide is CCCC(CC)NC(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is UVEYJBCNSQOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-7-8(5-2)14-12(17)11-10(13)9(6-3)15-16-11/h8H,4-7,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-hexan-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62092746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).