N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide

C13H24N4O — CID 79524373

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C13H24N4O/c1-4-6-7-10(5-2)13(18)15-8-11-9-16-17(3)12(11)14/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyUZLVERVKQRTTOT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds7

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide (PubChem CID 79524373) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
PubChem CID79524373
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCc1cnn(C)c1N
InChIInChI=1S/C13H24N4O/c1-4-6-7-10(5-2)13(18)15-8-11-9-16-17(3)12(11)14/h9-10H,4-8,14H2,1-3H3,(H,15,18)
InChIKeyUZLVERVKQRTTOT-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 79524033
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-[(5-amino-1-methylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 79523860
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 79524532
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide (CID 79524373) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCc1cnn(C)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide?
The InChIKey is UZLVERVKQRTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-7-10(5-2)13(18)15-8-11-9-16-17(3)12(11)14/h9-10H,4-8,14H2,1-3H3,(H,15,18).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide has a molecular weight of 252.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide is sourced from PubChem (CID 79524373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).