5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide

C12H22N4O — CID 61478998

IUPAC5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)15-12(17)10-8-14-16-11(10)13/h8-9H,3-7H2,1-2H3,(H,15,17)(H3,13,14,16)
InChIKeyJBTBWOSXBORUJJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.08
Rot. Bonds7

About 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide

5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 61478998) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID61478998
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)15-12(17)10-8-14-16-11(10)13/h8-9H,3-7H2,1-2H3,(H,15,17)(H3,13,14,16)
InChIKeyJBTBWOSXBORUJJ-UHFFFAOYSA-N
XLogP2.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[5-(diethylamino)pentan-2-yl]-1H-pyrazole-4-carboxamide
CID 43337193
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
CID 65360495
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
CID 65360544
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide (CID 61478998) is 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide is CCCCCCC(C)NC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is JBTBWOSXBORUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-6-7-9(2)15-12(17)10-8-14-16-11(10)13/h8-9H,3-7H2,1-2H3,(H,15,17)(H3,13,14,16).
What are the key properties of 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide?
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61478998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).